(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

C23H29FN6O4 — CID 146119291

IUPAC(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)COC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H29FN6O4/c1-28(2)21(31)14-34-13-20-9-19(30-11-18(10-25-30)26-22(32)15-3-4-15)12-29(20)23(33)27-17-7-5-16(24)6-8-17/h5-8,10-11,15,19-20H,3-4,9,12-14H2,1-2H3,(H,26,32)(H,27,33)/t19-,20-/m0/s1
InChIKeyQUUKDULQYPTACP-PMACEKPBSA-N
MW472.52 g/mol
LogP2.32
Rot. Bonds8

About (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 146119291) has the molecular formula C23H29FN6O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID146119291
Molecular FormulaC23H29FN6O4
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)COC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H29FN6O4/c1-28(2)21(31)14-34-13-20-9-19(30-11-18(10-25-30)26-22(32)15-3-4-15)12-29(20)23(33)27-17-7-5-16(24)6-8-17/h5-8,10-11,15,19-20H,3-4,9,12-14H2,1-2H3,(H,26,32)(H,27,33)/t19-,20-/m0/s1
InChIKeyQUUKDULQYPTACP-PMACEKPBSA-N
XLogP2.32
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-N-(4-fluorophenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 146118972
N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119303
(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide
CID 146119238
N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119310
N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-fluorobenzamide
CID 146119367
(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 146119140
N-[1-[(3S,5S)-1-[(4-chloro-3-fluorophenyl)methyl]-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-fluorobenzamide
CID 146119359
N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-fluorobenzamide
CID 146119363
N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119052
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 146118989
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 146119291) is (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is CN(C)C(=O)COC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is QUUKDULQYPTACP-PMACEKPBSA-N. The full InChI is InChI=1S/C23H29FN6O4/c1-28(2)21(31)14-34-13-20-9-19(30-11-18(10-25-30)26-22(32)15-3-4-15)12-29(20)23(33)27-17-7-5-16(24)6-8-17/h5-8,10-11,15,19-20H,3-4,9,12-14H2,1-2H3,(H,26,32)(H,27,33)/t19-,20-/m0/s1.
What are the key properties of (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146119291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).