1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C18H24N6O — CID 94164715

IUPAC1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCn1ncc2c1CCC[C@H]2NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H24N6O/c1-23-16-6-4-5-15(14(16)12-20-23)22-18(25)21-13-7-8-17(19-11-13)24-9-2-3-10-24/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyJDSUYZFPOXGRFD-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.61
Rot. Bonds3

About 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 94164715) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID94164715
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCn1ncc2c1CCC[C@H]2NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H24N6O/c1-23-16-6-4-5-15(14(16)12-20-23)22-18(25)21-13-7-8-17(19-11-13)24-9-2-3-10-24/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyJDSUYZFPOXGRFD-OAHLLOKOSA-N
XLogP2.61
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 71942472
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95349793
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 47026059
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
CID 56795741
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 100852720
1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95759882

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 94164715) is 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is JDSUYZFPOXGRFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23-16-6-4-5-15(14(16)12-20-23)22-18(25)21-13-7-8-17(19-11-13)24-9-2-3-10-24/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94164715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).