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

C20H27N7O — CID 91799530

IUPAC7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC(C)C)c4C3)ncnn12
InChIInChI=1S/C20H27N7O/c1-13(2)9-26-17-10-25(6-4-15(17)8-22-26)20-19-18(16-5-7-28-11-16)24-14(3)27(19)23-12-21-20/h8,12-13,16H,4-7,9-11H2,1-3H3/t16-/m1/s1
InChIKeyMYKDJNAZONAFPX-MRXNPFEDSA-N
MW381.48 g/mol
LogP2.35
Rot. Bonds4

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

7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799530) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
PubChem CID91799530
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC(C)C)c4C3)ncnn12
InChIInChI=1S/C20H27N7O/c1-13(2)9-26-17-10-25(6-4-15(17)8-22-26)20-19-18(16-5-7-28-11-16)24-14(3)27(19)23-12-21-20/h8,12-13,16H,4-7,9-11H2,1-3H3/t16-/m1/s1
InChIKeyMYKDJNAZONAFPX-MRXNPFEDSA-N
XLogP2.35
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-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 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (CID 91799530) is 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC(C)C)c4C3)ncnn12.
What is the InChIKey of 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The InChIKey is MYKDJNAZONAFPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N7O/c1-13(2)9-26-17-10-25(6-4-15(17)8-22-26)20-19-18(16-5-7-28-11-16)24-14(3)27(19)23-12-21-20/h8,12-13,16H,4-7,9-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine has a molecular weight of 381.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).