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

C18H23N7O — CID 91799389

IUPAC4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3Cc4c(cnn4C)[C@H](C)C3)ncnn12
InChIInChI=1S/C18H23N7O/c1-11-7-24(8-15-14(11)6-20-23(15)3)18-17-16(13-4-5-26-9-13)22-12(2)25(17)21-10-19-18/h6,10-11,13H,4-5,7-9H2,1-3H3/t11-,13-/m1/s1
InChIKeyPRFHFBOZKUMAMM-DGCLKSJQSA-N
MW353.43 g/mol
LogP1.79
Rot. Bonds2

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

4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799389) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
PubChem CID91799389
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3Cc4c(cnn4C)[C@H](C)C3)ncnn12
InChIInChI=1S/C18H23N7O/c1-11-7-24(8-15-14(11)6-20-23(15)3)18-17-16(13-4-5-26-9-13)22-12(2)25(17)21-10-19-18/h6,10-11,13H,4-5,7-9H2,1-3H3/t11-,13-/m1/s1
InChIKeyPRFHFBOZKUMAMM-DGCLKSJQSA-N
XLogP1.79
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-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-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (CID 91799389) is 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is Cc1nc([C@@H]2CCOC2)c2c(N3Cc4c(cnn4C)[C@H](C)C3)ncnn12.
What is the InChIKey of 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The InChIKey is PRFHFBOZKUMAMM-DGCLKSJQSA-N. The full InChI is InChI=1S/C18H23N7O/c1-11-7-24(8-15-14(11)6-20-23(15)3)18-17-16(13-4-5-26-9-13)22-12(2)25(17)21-10-19-18/h6,10-11,13H,4-5,7-9H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine has a molecular weight of 353.43 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).