6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine

C21H24N6O — CID 91799522

IUPAC6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4cc(C5CC5)ncc4C3)ncnn12
InChIInChI=1S/C21H24N6O/c1-13-25-19(16-5-7-28-11-16)20-21(23-12-24-27(13)20)26-6-4-15-8-18(14-2-3-14)22-9-17(15)10-26/h8-9,12,14,16H,2-7,10-11H2,1H3/t16-/m1/s1
InChIKeyTUZGEVZSUZQXJJ-MRXNPFEDSA-N
MW376.46 g/mol
LogP2.77
Rot. Bonds3

About 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine

6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 91799522) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID91799522
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4cc(C5CC5)ncc4C3)ncnn12
InChIInChI=1S/C21H24N6O/c1-13-25-19(16-5-7-28-11-16)20-21(23-12-24-27(13)20)26-6-4-15-8-18(14-2-3-14)22-9-17(15)10-26/h8-9,12,14,16H,2-7,10-11H2,1H3/t16-/m1/s1
InChIKeyTUZGEVZSUZQXJJ-MRXNPFEDSA-N
XLogP2.77
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine with MolForge

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Related Compounds

6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 91799424
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799392
2,4-dimethyl-6-[7-methyl-5-(oxolan-3-yl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123675759
4-ethyl-2-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 91799497
2-cyclopropyl-4-ethyl-6-[7-methyl-5-(oxolan-3-yl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123591583
N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide
CID 158036810
1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783
2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129295082
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
CID 125166181
1-[4-[(3R)-oxolan-3-yl]-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]azetidin-3-ol
CID 125157984
[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 119064003
5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 121369209

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine (CID 91799522) is 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine is Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cc(C5CC5)ncc4C3)ncnn12.
What is the InChIKey of 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is TUZGEVZSUZQXJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-25-19(16-5-7-28-11-16)20-21(23-12-24-27(13)20)26-6-4-15-8-18(14-2-3-14)22-9-17(15)10-26/h8-9,12,14,16H,2-7,10-11H2,1H3/t16-/m1/s1.
What are the key properties of 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 376.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 91799522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).