1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

C17H25N7O — CID 97050768

IUPAC1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCc2c1cnn2C
InChIInChI=1S/C17H25N7O/c1-3-15-21-16-13(7-5-9-24(16)22-15)20-17(25)19-12-6-4-8-14-11(12)10-18-23(14)2/h10,12-13H,3-9H2,1-2H3,(H2,19,20,25)/t12-,13-/m1/s1
InChIKeyZVIQHPDUUOBDBP-CHWSQXEVSA-N
MW343.44 g/mol
LogP1.79
Rot. Bonds3

About 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (PubChem CID 97050768) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.

Molecular Properties

Compound Name1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
PubChem CID97050768
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCc2c1cnn2C
InChIInChI=1S/C17H25N7O/c1-3-15-21-16-13(7-5-9-24(16)22-15)20-17(25)19-12-6-4-8-14-11(12)10-18-23(14)2/h10,12-13H,3-9H2,1-2H3,(H2,19,20,25)/t12-,13-/m1/s1
InChIKeyZVIQHPDUUOBDBP-CHWSQXEVSA-N
XLogP1.79
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea with MolForge

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Related Compounds

1-[(1S,2R)-2-cyclohexylcyclopropyl]-3-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97050961
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95759882
1-(1-benzylpiperidin-4-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 42956437
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
CID 95194911
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 38884548
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139

Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The IUPAC name of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (CID 97050768) is 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.
What is the SMILES notation for 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The canonical SMILES for 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCc2c1cnn2C.
What is the InChIKey of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The InChIKey is ZVIQHPDUUOBDBP-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25N7O/c1-3-15-21-16-13(7-5-9-24(16)22-15)20-17(25)19-12-6-4-8-14-11(12)10-18-23(14)2/h10,12-13H,3-9H2,1-2H3,(H2,19,20,25)/t12-,13-/m1/s1.
What are the key properties of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea has a molecular weight of 343.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is sourced from PubChem (CID 97050768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).