N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide

C23H32N6O4 — CID 146119310

IUPACN-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ncccc1CN1C[C@@H](n2cc(NC(=O)C3CC3)cn2)C[C@H]1COCC(=O)N(C)C
InChIInChI=1S/C23H32N6O4/c1-27(2)21(30)15-33-14-20-9-19(13-28(20)11-17-5-4-8-24-23(17)32-3)29-12-18(10-25-29)26-22(31)16-6-7-16/h4-5,8,10,12,16,19-20H,6-7,9,11,13-15H2,1-3H3,(H,26,31)/t19-,20-/m0/s1
InChIKeyUNYDDHXSFQGZNM-PMACEKPBSA-N
MW456.55 g/mol
LogP1.56
Rot. Bonds10

About N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide

N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 146119310) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID146119310
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC NameN-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ncccc1CN1C[C@@H](n2cc(NC(=O)C3CC3)cn2)C[C@H]1COCC(=O)N(C)C
InChIInChI=1S/C23H32N6O4/c1-27(2)21(30)15-33-14-20-9-19(13-28(20)11-17-5-4-8-24-23(17)32-3)29-12-18(10-25-29)26-22(31)16-6-7-16/h4-5,8,10,12,16,19-20H,6-7,9,11,13-15H2,1-3H3,(H,26,31)/t19-,20-/m0/s1
InChIKeyUNYDDHXSFQGZNM-PMACEKPBSA-N
XLogP1.56
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 146119291
N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119052
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
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
(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide
CID 146119238
(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-N-(4-fluorophenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 146118972
3-fluoro-N-[1-[(3S,5S)-1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]benzamide
CID 146119096
(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 146119140
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]acetamide;hydrochloride
CID 175914965
3-[(3S,3aS,7aS)-1-[(2-methoxy-3-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea
CID 97460361

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of 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) is N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide is COc1ncccc1CN1C[C@@H](n2cc(NC(=O)C3CC3)cn2)C[C@H]1COCC(=O)N(C)C.
What is the InChIKey of N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is UNYDDHXSFQGZNM-PMACEKPBSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-27(2)21(30)15-33-14-20-9-19(13-28(20)11-17-5-4-8-24-23(17)32-3)29-12-18(10-25-29)26-22(31)16-6-7-16/h4-5,8,10,12,16,19-20H,6-7,9,11,13-15H2,1-3H3,(H,26,31)/t19-,20-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 456.55 g/mol, XLogP of 1.56, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146119310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).