N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide

C25H23ClN6O2 — CID 118879875

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2c[nH]c3ncc(-c4cnn(CCO)c4)cc23)c[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN6O2/c1-15(16-3-2-4-20(26)7-16)31-25(34)23-9-18(11-27-23)22-13-29-24-21(22)8-17(10-28-24)19-12-30-32(14-19)5-6-33/h2-4,7-15,27,33H,5-6H2,1H3,(H,28,29)(H,31,34)/t15-/m1/s1
InChIKeySBRXPCWNDQNVQL-OAHLLOKOSA-N
MW474.95 g/mol
LogP4.56
Rot. Bonds7

About N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 118879875) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID118879875
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2c[nH]c3ncc(-c4cnn(CCO)c4)cc23)c[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN6O2/c1-15(16-3-2-4-20(26)7-16)31-25(34)23-9-18(11-27-23)22-13-29-24-21(22)8-17(10-28-24)19-12-30-32(14-19)5-6-33/h2-4,7-15,27,33H,5-6H2,1H3,(H,28,29)(H,31,34)/t15-/m1/s1
InChIKeySBRXPCWNDQNVQL-OAHLLOKOSA-N
XLogP4.56
TPSA111.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
CID 118879838
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxamide
CID 118879872
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(5-methyl-2-phenyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 59015807
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 58641927
2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide
CID 90029204
N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide
CID 90028027
5-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610155
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 139514473
3-ethyl-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166275142
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
CID 118879856
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(1,1,1,2-tetradeuteriopropan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 176610459
4-[5-chloro-2-(1,2-dideuteriopropan-2-ylamino)-4-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 176610472

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (CID 118879875) is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is C[C@@H](NC(=O)c1cc(-c2c[nH]c3ncc(-c4cnn(CCO)c4)cc23)c[nH]1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is SBRXPCWNDQNVQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-15(16-3-2-4-20(26)7-16)31-25(34)23-9-18(11-27-23)22-13-29-24-21(22)8-17(10-28-24)19-12-30-32(14-19)5-6-33/h2-4,7-15,27,33H,5-6H2,1H3,(H,28,29)(H,31,34)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.56, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118879875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).