4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide

C65H71Cl5N12O8 — CID 158506968

IUPAC4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1
InChIInChI=1S/C22H24Cl2N4O3.C22H25ClN4O3.C21H22Cl2N4O2/c1-2-16(11-29)27-21-8-17(18(24)10-26-21)14-7-19(25-9-14)22(31)28-20(12-30)13-4-3-5-15(23)6-13;1-13-4-3-5-15(6-13)20(12-29)27-22(30)19-7-16(9-24-19)17-8-21(25-10-18(17)23)26-14(2)11-28;1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,16,20,25,29-30H,2,11-12H2,1H3,(H,26,27)(H,28,31);3-10,14,20,24,28-29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t16-,20+;14-,20-;19-/m010/s1
InChIKeyHKOSJAKUSMNFQX-XMQGHYIZSA-N
MW1325.62 g/mol
LogP11.99
Rot. Bonds24

About 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide

4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide (PubChem CID 158506968) has the molecular formula C65H71Cl5N12O8 and a molecular weight of 1325.62 g/mol. Its IUPAC name is 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
PubChem CID158506968
Molecular FormulaC65H71Cl5N12O8
Molecular Weight1325.62 g/mol
Exact Mass1322.40
IUPAC Name4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1
InChIInChI=1S/C22H24Cl2N4O3.C22H25ClN4O3.C21H22Cl2N4O2/c1-2-16(11-29)27-21-8-17(18(24)10-26-21)14-7-19(25-9-14)22(31)28-20(12-30)13-4-3-5-15(23)6-13;1-13-4-3-5-15(6-13)20(12-29)27-22(30)19-7-16(9-24-19)17-8-21(25-10-18(17)23)26-14(2)11-28;1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,16,20,25,29-30H,2,11-12H2,1H3,(H,26,27)(H,28,31);3-10,14,20,24,28-29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t16-,20+;14-,20-;19-/m010/s1
InChIKeyHKOSJAKUSMNFQX-XMQGHYIZSA-N
XLogP11.99
TPSA310.58 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001325.62
LogP ≤ 511.99
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Analyze 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide (CID 158506968) is 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide is CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.CC[C@@H](CO)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1.Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3cc(N[C@H](C)CO)ncc3Cl)c[nH]2)c1.
What is the InChIKey of 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HKOSJAKUSMNFQX-XMQGHYIZSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3.C22H25ClN4O3.C21H22Cl2N4O2/c1-2-16(11-29)27-21-8-17(18(24)10-26-21)14-7-19(25-9-14)22(31)28-20(12-30)13-4-3-5-15(23)6-13;1-13-4-3-5-15(6-13)20(12-29)27-22(30)19-7-16(9-24-19)17-8-21(25-10-18(17)23)26-14(2)11-28;1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,16,20,25,29-30H,2,11-12H2,1H3,(H,26,27)(H,28,31);3-10,14,20,24,28-29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t16-,20+;14-,20-;19-/m010/s1.
What are the key properties of 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide?
4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide has a molecular weight of 1325.62 g/mol, XLogP of 11.99, 24 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[5-chloro-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 158506968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).