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

C19H22N6O2 — CID 170576913

IUPACN-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOC(C)(C)c1nccc(-n2nc(C3CC3)c3cnc(NC(C)=O)cc32)n1
InChIInChI=1S/C19H22N6O2/c1-11(26)22-15-9-14-13(10-21-15)17(12-5-6-12)24-25(14)16-7-8-20-18(23-16)19(2,3)27-4/h7-10,12H,5-6H2,1-4H3,(H,21,22,26)
InChIKeyUOBPTRKJEUFPQB-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.93
Rot. Bonds5

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

N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170576913) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170576913
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOC(C)(C)c1nccc(-n2nc(C3CC3)c3cnc(NC(C)=O)cc32)n1
InChIInChI=1S/C19H22N6O2/c1-11(26)22-15-9-14-13(10-21-15)17(12-5-6-12)24-25(14)16-7-8-20-18(23-16)19(2,3)27-4/h7-10,12H,5-6H2,1-4H3,(H,21,22,26)
InChIKeyUOBPTRKJEUFPQB-UHFFFAOYSA-N
XLogP2.93
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.93
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-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170576913) is N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is COC(C)(C)c1nccc(-n2nc(C3CC3)c3cnc(NC(C)=O)cc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is UOBPTRKJEUFPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11(26)22-15-9-14-13(10-21-15)17(12-5-6-12)24-25(14)16-7-8-20-18(23-16)19(2,3)27-4/h7-10,12H,5-6H2,1-4H3,(H,21,22,26).
What are the key properties of N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.93, 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-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170576913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).