4-(2-cyclopropyl-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

C19H23N7O — CID 91799544

IUPAC4-(2-cyclopropyl-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(C5CC5)cc4C3)ncnn12
InChIInChI=1S/C19H23N7O/c1-12-22-17(13-5-7-27-10-13)18-19(20-11-21-26(12)18)24-6-4-16-14(8-24)9-25(23-16)15-2-3-15/h9,11,13,15H,2-8,10H2,1H3/t13-/m1/s1
InChIKeyVVBFRGXLQGJWRX-CYBMUJFWSA-N
MW365.44 g/mol
LogP2.03
Rot. Bonds3

About 4-(2-cyclopropyl-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-(2-cyclopropyl-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 91799544) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(2-cyclopropyl-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-(2-cyclopropyl-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 CID91799544
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-(2-cyclopropyl-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(C5CC5)cc4C3)ncnn12
InChIInChI=1S/C19H23N7O/c1-12-22-17(13-5-7-27-10-13)18-19(20-11-21-26(12)18)24-6-4-16-14(8-24)9-25(23-16)15-2-3-15/h9,11,13,15H,2-8,10H2,1H3/t13-/m1/s1
InChIKeyVVBFRGXLQGJWRX-CYBMUJFWSA-N
XLogP2.03
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2-cyclopropyl-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-(2-cyclopropyl-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-(2-cyclopropyl-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 91799544) is 4-(2-cyclopropyl-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-(2-cyclopropyl-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-(2-cyclopropyl-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(C5CC5)cc4C3)ncnn12.
What is the InChIKey of 4-(2-cyclopropyl-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 VVBFRGXLQGJWRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N7O/c1-12-22-17(13-5-7-27-10-13)18-19(20-11-21-26(12)18)24-6-4-16-14(8-24)9-25(23-16)15-2-3-15/h9,11,13,15H,2-8,10H2,1H3/t13-/m1/s1.
What are the key properties of 4-(2-cyclopropyl-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-(2-cyclopropyl-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 365.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-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 91799544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).