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

C19H27N7 — CID 91799414

IUPAC4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine
SMILESCCc1nn(C)c2c1CN(c1ncnn3c(C)nc(CC(C)C)c13)CC2
InChIInChI=1S/C19H27N7/c1-6-15-14-10-25(8-7-17(14)24(5)23-15)19-18-16(9-12(2)3)22-13(4)26(18)21-11-20-19/h11-12H,6-10H2,1-5H3
InChIKeyKVBNZPFJXCPAQS-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.49
Rot. Bonds4

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

4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799414) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine
PubChem CID91799414
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine
SMILESCCc1nn(C)c2c1CN(c1ncnn3c(C)nc(CC(C)C)c13)CC2
InChIInChI=1S/C19H27N7/c1-6-15-14-10-25(8-7-17(14)24(5)23-15)19-18-16(9-12(2)3)22-13(4)26(18)21-11-20-19/h11-12H,6-10H2,1-5H3
InChIKeyKVBNZPFJXCPAQS-UHFFFAOYSA-N
XLogP2.49
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-cyclopropyl-1-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 91799545
7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine
CID 86281207
4-(3-ethyl-1-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 91799387
5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine
CID 91799409
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
4-(3-ethyl-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 91799423
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
7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799452
4-(1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799459
4-(2,3-dimethyl-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 91799467
4-(3-Ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine
CID 91799473
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine (CID 91799414) is 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine is CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(CC(C)C)c13)CC2.
What is the InChIKey of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine?
The InChIKey is KVBNZPFJXCPAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-6-15-14-10-25(8-7-17(14)24(5)23-15)19-18-16(9-12(2)3)22-13(4)26(18)21-11-20-19/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine?
4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine has a molecular weight of 353.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).