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

C17H21N7O — CID 91799541

IUPAC7-methyl-4-(1-methyl-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(C)c4C3)ncnn12
InChIInChI=1S/C17H21N7O/c1-11-21-15(13-4-6-25-9-13)16-17(18-10-20-24(11)16)23-5-3-12-7-19-22(2)14(12)8-23/h7,10,13H,3-6,8-9H2,1-2H3/t13-/m1/s1
InChIKeyQBCXBKWIHPOTLC-CYBMUJFWSA-N
MW339.40 g/mol
LogP1.23
Rot. Bonds2

About 7-methyl-4-(1-methyl-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-methyl-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 91799541) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-methyl-4-(1-methyl-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-methyl-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 CID91799541
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name7-methyl-4-(1-methyl-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(C)c4C3)ncnn12
InChIInChI=1S/C17H21N7O/c1-11-21-15(13-4-6-25-9-13)16-17(18-10-20-24(11)16)23-5-3-12-7-19-22(2)14(12)8-23/h7,10,13H,3-6,8-9H2,1-2H3/t13-/m1/s1
InChIKeyQBCXBKWIHPOTLC-CYBMUJFWSA-N
XLogP1.23
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(1-methyl-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-methyl-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 91799541) is 7-methyl-4-(1-methyl-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-methyl-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-methyl-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(C)c4C3)ncnn12.
What is the InChIKey of 7-methyl-4-(1-methyl-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 QBCXBKWIHPOTLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-21-15(13-4-6-25-9-13)16-17(18-10-20-24(11)16)23-5-3-12-7-19-22(2)14(12)8-23/h7,10,13H,3-6,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-methyl-4-(1-methyl-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-methyl-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 339.40 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(1-methyl-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 91799541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).