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

C20H25N7O — CID 91799410

IUPAC4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4nn(C)c(C5CC5)c4C3)ncnn12
InChIInChI=1S/C20H25N7O/c1-12-23-17(14-6-8-28-10-14)19-20(21-11-22-27(12)19)26-7-5-16-15(9-26)18(13-3-4-13)25(2)24-16/h11,13-14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeySYRPJHKMGQGRQF-CQSZACIVSA-N
MW379.47 g/mol
LogP2.11
Rot. Bonds3

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

4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799410) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
PubChem CID91799410
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4nn(C)c(C5CC5)c4C3)ncnn12
InChIInChI=1S/C20H25N7O/c1-12-23-17(14-6-8-28-10-14)19-20(21-11-22-27(12)19)26-7-5-16-15(9-26)18(13-3-4-13)25(2)24-16/h11,13-14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeySYRPJHKMGQGRQF-CQSZACIVSA-N
XLogP2.11
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (CID 91799410) is 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nn(C)c(C5CC5)c4C3)ncnn12.
What is the InChIKey of 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The InChIKey is SYRPJHKMGQGRQF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N7O/c1-12-23-17(14-6-8-28-10-14)19-20(21-11-22-27(12)19)26-7-5-16-15(9-26)18(13-3-4-13)25(2)24-16/h11,13-14H,3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine has a molecular weight of 379.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).