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

C18H15F2N7O — CID 170577266

IUPACN-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1C#N)nn2-c1nccc(C(C)(F)F)n1
InChIInChI=1S/C18H15F2N7O/c1-9(28)24-15-6-13-12(8-23-15)16(11-5-10(11)7-21)26-27(13)17-22-4-3-14(25-17)18(2,19)20/h3-4,6,8,10-11H,5H2,1-2H3,(H,23,24,28)
InChIKeyPGFOKWBEKUXQOC-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.91
Rot. Bonds4

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

N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577266) has the molecular formula C18H15F2N7O and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577266
Molecular FormulaC18H15F2N7O
Molecular Weight383.36 g/mol
Exact Mass383.13
IUPAC NameN-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1C#N)nn2-c1nccc(C(C)(F)F)n1
InChIInChI=1S/C18H15F2N7O/c1-9(28)24-15-6-13-12(8-23-15)16(11-5-10(11)7-21)26-27(13)17-22-4-3-14(25-17)18(2,19)20/h3-4,6,8,10-11H,5H2,1-2H3,(H,23,24,28)
InChIKeyPGFOKWBEKUXQOC-UHFFFAOYSA-N
XLogP2.91
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577266) is N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CC1C#N)nn2-c1nccc(C(C)(F)F)n1.
What is the InChIKey of N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is PGFOKWBEKUXQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7O/c1-9(28)24-15-6-13-12(8-23-15)16(11-5-10(11)7-21)26-27(13)17-22-4-3-14(25-17)18(2,19)20/h3-4,6,8,10-11H,5H2,1-2H3,(H,23,24,28).
What are the key properties of N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 383.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanocyclopropyl)-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).