N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide

C24H27F2N7O3 — CID 146611999

IUPACN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)CC1(O)CCN(C(=O)Nc2cnc3[nH]nc(N4CCC[C@@H]4c4cc(F)ccc4F)c3c2)C1
InChIInChI=1S/C24H27F2N7O3/c1-27-20(34)11-24(36)6-8-32(13-24)23(35)29-15-10-17-21(28-12-15)30-31-22(17)33-7-2-3-19(33)16-9-14(25)4-5-18(16)26/h4-5,9-10,12,19,36H,2-3,6-8,11,13H2,1H3,(H,27,34)(H,29,35)(H,28,30,31)/t19-,24?/m1/s1
InChIKeyDZWLQHGIWMLEQH-PHSANKKPSA-N
MW499.52 g/mol
LogP2.68
Rot. Bonds5

About N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide

N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide (PubChem CID 146611999) has the molecular formula C24H27F2N7O3 and a molecular weight of 499.52 g/mol. Its IUPAC name is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide
PubChem CID146611999
Molecular FormulaC24H27F2N7O3
Molecular Weight499.52 g/mol
Exact Mass499.21
IUPAC NameN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)CC1(O)CCN(C(=O)Nc2cnc3[nH]nc(N4CCC[C@@H]4c4cc(F)ccc4F)c3c2)C1
InChIInChI=1S/C24H27F2N7O3/c1-27-20(34)11-24(36)6-8-32(13-24)23(35)29-15-10-17-21(28-12-15)30-31-22(17)33-7-2-3-19(33)16-9-14(25)4-5-18(16)26/h4-5,9-10,12,19,36H,2-3,6-8,11,13H2,1H3,(H,27,34)(H,29,35)(H,28,30,31)/t19-,24?/m1/s1
InChIKeyDZWLQHGIWMLEQH-PHSANKKPSA-N
XLogP2.68
TPSA126.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide (CID 146611999) is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide is CNC(=O)CC1(O)CCN(C(=O)Nc2cnc3[nH]nc(N4CCC[C@@H]4c4cc(F)ccc4F)c3c2)C1.
What is the InChIKey of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
The InChIKey is DZWLQHGIWMLEQH-PHSANKKPSA-N. The full InChI is InChI=1S/C24H27F2N7O3/c1-27-20(34)11-24(36)6-8-32(13-24)23(35)29-15-10-17-21(28-12-15)30-31-22(17)33-7-2-3-19(33)16-9-14(25)4-5-18(16)26/h4-5,9-10,12,19,36H,2-3,6-8,11,13H2,1H3,(H,27,34)(H,29,35)(H,28,30,31)/t19-,24?/m1/s1.
What are the key properties of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide?
N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxy-3-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146611999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).