7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine

C20H27N7O — CID 91799474

IUPAC7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(C2CCOCC2)c2c(N3CCc4[nH]nc(C(C)C)c4C3)ncnn12
InChIInChI=1S/C20H27N7O/c1-12(2)17-15-10-26(7-4-16(15)24-25-17)20-19-18(14-5-8-28-9-6-14)23-13(3)27(19)22-11-21-20/h11-12,14H,4-10H2,1-3H3,(H,24,25)
InChIKeyUXFMETYQZLJLBQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.74
Rot. Bonds3

About 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine

7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799474) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine
PubChem CID91799474
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(C2CCOCC2)c2c(N3CCc4[nH]nc(C(C)C)c4C3)ncnn12
InChIInChI=1S/C20H27N7O/c1-12(2)17-15-10-26(7-4-16(15)24-25-17)20-19-18(14-5-8-28-9-6-14)23-13(3)27(19)22-11-21-20/h11-12,14H,4-10H2,1-3H3,(H,24,25)
InChIKeyUXFMETYQZLJLBQ-UHFFFAOYSA-N
XLogP2.74
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine (CID 91799474) is 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine is Cc1nc(C2CCOCC2)c2c(N3CCc4[nH]nc(C(C)C)c4C3)ncnn12.
What is the InChIKey of 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine?
The InChIKey is UXFMETYQZLJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-12(2)17-15-10-26(7-4-16(15)24-25-17)20-19-18(14-5-8-28-9-6-14)23-13(3)27(19)22-11-21-20/h11-12,14H,4-10H2,1-3H3,(H,24,25).
What are the key properties of 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine?
7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine has a molecular weight of 381.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(oxan-4-yl)-4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).