N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

C17H17F2N7O2 — CID 175990800

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cn[nH]c2)nc(C(C)(F)F)n1
InChIInChI=1S/C17H17F2N7O2/c1-9(27)23-14-5-12(13(28-3)8-20-14)24-15-4-11(10-6-21-22-7-10)25-16(26-15)17(2,18)19/h4-8H,1-3H3,(H,21,22)(H2,20,23,24,25,26,27)
InChIKeyWLAAPBLEEKKESF-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (PubChem CID 175990800) has the molecular formula C17H17F2N7O2 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
PubChem CID175990800
Molecular FormulaC17H17F2N7O2
Molecular Weight389.37 g/mol
Exact Mass389.14
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cn[nH]c2)nc(C(C)(F)F)n1
InChIInChI=1S/C17H17F2N7O2/c1-9(27)23-14-5-12(13(28-3)8-20-14)24-15-4-11(10-6-21-22-7-10)25-16(26-15)17(2,18)19/h4-8H,1-3H3,(H,21,22)(H2,20,23,24,25,26,27)
InChIKeyWLAAPBLEEKKESF-UHFFFAOYSA-N
XLogP3.08
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (CID 175990800) is N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is COc1cnc(NC(C)=O)cc1Nc1cc(-c2cn[nH]c2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The InChIKey is WLAAPBLEEKKESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O2/c1-9(27)23-14-5-12(13(28-3)8-20-14)24-15-4-11(10-6-21-22-7-10)25-16(26-15)17(2,18)19/h4-8H,1-3H3,(H,21,22)(H2,20,23,24,25,26,27).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide has a molecular weight of 389.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 175990800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).