N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C19H21FN6O2 — CID 170577794

IUPACN-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOc1cc(-n2nc(C3CC3)c3cnc(NC(C)=O)cc32)nc(C(C)(C)F)n1
InChIInChI=1S/C19H21FN6O2/c1-10(27)22-14-7-13-12(9-21-14)17(11-5-6-11)25-26(13)15-8-16(28-4)24-18(23-15)19(2,3)20/h7-9,11H,5-6H2,1-4H3,(H,21,22,27)
InChIKeyIPTGAEKETGIENL-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.26
Rot. Bonds5

About N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577794) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577794
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC NameN-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOc1cc(-n2nc(C3CC3)c3cnc(NC(C)=O)cc32)nc(C(C)(C)F)n1
InChIInChI=1S/C19H21FN6O2/c1-10(27)22-14-7-13-12(9-21-14)17(11-5-6-11)25-26(13)15-8-16(28-4)24-18(23-15)19(2,3)20/h7-9,11H,5-6H2,1-4H3,(H,21,22,27)
InChIKeyIPTGAEKETGIENL-UHFFFAOYSA-N
XLogP3.26
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577794) is N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is COc1cc(-n2nc(C3CC3)c3cnc(NC(C)=O)cc32)nc(C(C)(C)F)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is IPTGAEKETGIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-10(27)22-14-7-13-12(9-21-14)17(11-5-6-11)25-26(13)15-8-16(28-4)24-18(23-15)19(2,3)20/h7-9,11H,5-6H2,1-4H3,(H,21,22,27).
What are the key properties of N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 384.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).