N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C19H21F2N7O — CID 170577004

IUPACN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CCCC1C)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C19H21F2N7O/c1-11-5-4-8-27(11)17-13-10-23-15(24-12(2)29)9-14(13)28(26-17)16-6-7-22-18(25-16)19(3,20)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,24,29)
InChIKeyUYVRPACARWXPSZ-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.27
Rot. Bonds4

About N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577004) has the molecular formula C19H21F2N7O and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577004
Molecular FormulaC19H21F2N7O
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC NameN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CCCC1C)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C19H21F2N7O/c1-11-5-4-8-27(11)17-13-10-23-15(24-12(2)29)9-14(13)28(26-17)16-6-7-22-18(25-16)19(3,20)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,24,29)
InChIKeyUYVRPACARWXPSZ-UHFFFAOYSA-N
XLogP3.27
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577004) is N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CCCC1C)nn2-c1ccnc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is UYVRPACARWXPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O/c1-11-5-4-8-27(11)17-13-10-23-15(24-12(2)29)9-14(13)28(26-17)16-6-7-22-18(25-16)19(3,20)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,24,29).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).