1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

C17H19N7O — CID 124595043

IUPAC1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESO=C(NCc1ccnc(-n2cccn2)c1)N[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C17H19N7O/c25-17(22-14-2-3-15-13(9-14)11-20-23-15)19-10-12-4-6-18-16(8-12)24-7-1-5-21-24/h1,4-8,11,14H,2-3,9-10H2,(H,20,23)(H2,19,22,25)/t14-/m0/s1
InChIKeyUUFKCPZJCRKCSY-AWEZNQCLSA-N
MW337.39 g/mol
LogP1.35
Rot. Bonds4

About 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (PubChem CID 124595043) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
PubChem CID124595043
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESO=C(NCc1ccnc(-n2cccn2)c1)N[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C17H19N7O/c25-17(22-14-2-3-15-13(9-14)11-20-23-15)19-10-12-4-6-18-16(8-12)24-7-1-5-21-24/h1,4-8,11,14H,2-3,9-10H2,(H,20,23)(H2,19,22,25)/t14-/m0/s1
InChIKeyUUFKCPZJCRKCSY-AWEZNQCLSA-N
XLogP1.35
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea with MolForge

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Related Compounds

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168892581
1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168955827
N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
CID 124578647
1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 146106347
1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75383144
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide
CID 86801992
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 46481157
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
CID 168892575

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The IUPAC name of 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (CID 124595043) is 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The canonical SMILES for 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is O=C(NCc1ccnc(-n2cccn2)c1)N[C@H]1CCc2[nH]ncc2C1.
What is the InChIKey of 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The InChIKey is UUFKCPZJCRKCSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17(22-14-2-3-15-13(9-14)11-20-23-15)19-10-12-4-6-18-16(8-12)24-7-1-5-21-24/h1,4-8,11,14H,2-3,9-10H2,(H,20,23)(H2,19,22,25)/t14-/m0/s1.
What are the key properties of 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea has a molecular weight of 337.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is sourced from PubChem (CID 124595043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).