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

C18H16F4N6O3 — CID 170577159

IUPACN-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)cnn2-c1cc(OC2COCC2(F)F)nc(C(C)(F)F)n1
InChIInChI=1S/C18H16F4N6O3/c1-9(29)25-13-3-11-10(5-23-13)6-24-28(11)14-4-15(27-16(26-14)17(2,19)20)31-12-7-30-8-18(12,21)22/h3-6,12H,7-8H2,1-2H3,(H,23,25,29)
InChIKeyMMMQZWCZEJXAHQ-UHFFFAOYSA-N
MW440.36 g/mol
LogP2.69
Rot. Bonds5

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

N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577159) has the molecular formula C18H16F4N6O3 and a molecular weight of 440.36 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577159
Molecular FormulaC18H16F4N6O3
Molecular Weight440.36 g/mol
Exact Mass440.12
IUPAC NameN-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)cnn2-c1cc(OC2COCC2(F)F)nc(C(C)(F)F)n1
InChIInChI=1S/C18H16F4N6O3/c1-9(29)25-13-3-11-10(5-23-13)6-24-28(11)14-4-15(27-16(26-14)17(2,19)20)31-12-7-30-8-18(12,21)22/h3-6,12H,7-8H2,1-2H3,(H,23,25,29)
InChIKeyMMMQZWCZEJXAHQ-UHFFFAOYSA-N
XLogP2.69
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577651
N-[1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577721
N-[1-[6-(3-fluorooxolan-3-yl)-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577008
N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 170577490
N-[3-[2-(1,1-difluoroethyl)-6-(oxetan-3-yloxy)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028839
N-[1-[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577010
N-[3-cyclopropyl-1-[2-(1,1-difluoroethyl)-6-[(3-methoxycyclobutyl)methoxy]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577207
N-[1-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577104
N-[1-[2-(oxolan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576845
N-[1-[2-(1,1-difluoroethyl)-6-(3-methoxycyclobutyl)oxypyrimidin-4-yl]-3-ethylpyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 177282298
N-[1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576741
N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577794

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577159) is N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)cnn2-c1cc(OC2COCC2(F)F)nc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is MMMQZWCZEJXAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N6O3/c1-9(29)25-13-3-11-10(5-23-13)6-24-28(11)14-4-15(27-16(26-14)17(2,19)20)31-12-7-30-8-18(12,21)22/h3-6,12H,7-8H2,1-2H3,(H,23,25,29).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 440.36 g/mol, XLogP of 2.69, 5 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)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).