7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine

C20H27N7O — CID 91799451

IUPAC7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@H]2CCOC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12
InChIInChI=1S/C20H27N7O/c1-12(2)17-15-9-26(7-5-16(15)25(4)24-17)20-19-18(14-6-8-28-10-14)23-13(3)27(19)22-11-21-20/h11-12,14H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyJQNFABHCPGZYEE-AWEZNQCLSA-N
MW381.48 g/mol
LogP2.36
Rot. Bonds3

About 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine

7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799451) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
PubChem CID91799451
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@H]2CCOC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12
InChIInChI=1S/C20H27N7O/c1-12(2)17-15-9-26(7-5-16(15)25(4)24-17)20-19-18(14-6-8-28-10-14)23-13(3)27(19)22-11-21-20/h11-12,14H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyJQNFABHCPGZYEE-AWEZNQCLSA-N
XLogP2.36
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (CID 91799451) is 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is Cc1nc([C@H]2CCOC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12.
What is the InChIKey of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The InChIKey is JQNFABHCPGZYEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N7O/c1-12(2)17-15-9-26(7-5-16(15)25(4)24-17)20-19-18(14-6-8-28-10-14)23-13(3)27(19)22-11-21-20/h11-12,14H,5-10H2,1-4H3/t14-/m0/s1.
What are the key properties of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine has a molecular weight of 381.48 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).