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

C19H25N7O — CID 91799457

IUPAC7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C(C)C)c4C3)ncnn12
InChIInChI=1S/C19H25N7O/c1-12(2)25-16-9-24(6-4-14(16)8-21-25)19-18-17(15-5-7-27-10-15)23-13(3)26(18)22-11-20-19/h8,11-12,15H,4-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyLPYZVAAZANCDBC-OAHLLOKOSA-N
MW367.46 g/mol
LogP2.28
Rot. Bonds3

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

7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799457) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine
PubChem CID91799457
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C(C)C)c4C3)ncnn12
InChIInChI=1S/C19H25N7O/c1-12(2)25-16-9-24(6-4-14(16)8-21-25)19-18-17(15-5-7-27-10-15)23-13(3)26(18)22-11-20-19/h8,11-12,15H,4-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyLPYZVAAZANCDBC-OAHLLOKOSA-N
XLogP2.28
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-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-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine (CID 91799457) is 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine is Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C(C)C)c4C3)ncnn12.
What is the InChIKey of 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
The InChIKey is LPYZVAAZANCDBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N7O/c1-12(2)25-16-9-24(6-4-14(16)8-21-25)19-18-17(15-5-7-27-10-15)23-13(3)26(18)22-11-20-19/h8,11-12,15H,4-7,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine has a molecular weight of 367.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).