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

C18H16F2N8O — CID 170577204

IUPACN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(-c1ccn(C)n1)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C18H16F2N8O/c1-10(29)23-14-8-13-11(9-22-14)16(12-5-7-27(3)25-12)26-28(13)15-4-6-21-17(24-15)18(2,19)20/h4-9H,1-3H3,(H,22,23,29)
InChIKeyMLFUJTLEWKRYFM-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.68
Rot. Bonds4

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

N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577204) has the molecular formula C18H16F2N8O and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577204
Molecular FormulaC18H16F2N8O
Molecular Weight398.38 g/mol
Exact Mass398.14
IUPAC NameN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(-c1ccn(C)n1)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C18H16F2N8O/c1-10(29)23-14-8-13-11(9-22-14)16(12-5-7-27(3)25-12)26-28(13)15-4-6-21-17(24-15)18(2,19)20/h4-9H,1-3H3,(H,22,23,29)
InChIKeyMLFUJTLEWKRYFM-UHFFFAOYSA-N
XLogP2.68
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577204) is N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(-c1ccn(C)n1)nn2-c1ccnc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is MLFUJTLEWKRYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N8O/c1-10(29)23-14-8-13-11(9-22-14)16(12-5-7-27(3)25-12)26-28(13)15-4-6-21-17(24-15)18(2,19)20/h4-9H,1-3H3,(H,22,23,29).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 398.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).