1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea

C21H25N5O — CID 25153813

IUPAC1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea
SMILESCN1CCCC[C@H]1C(NC(=O)Nc1ccc2cn[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-26-12-6-5-9-19(26)20(15-7-3-2-4-8-15)24-21(27)23-17-11-10-16-14-22-25-18(16)13-17/h2-4,7-8,10-11,13-14,19-20H,5-6,9,12H2,1H3,(H,22,25)(H2,23,24,27)/t19-,20?/m0/s1
InChIKeyLDLBNFRDZSWLGA-XJDOXCRVSA-N
MW363.47 g/mol
LogP3.91
Rot. Bonds4

About 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea

1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea (PubChem CID 25153813) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea
PubChem CID25153813
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea
SMILESCN1CCCC[C@H]1C(NC(=O)Nc1ccc2cn[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-26-12-6-5-9-19(26)20(15-7-3-2-4-8-15)24-21(27)23-17-11-10-16-14-22-25-18(16)13-17/h2-4,7-8,10-11,13-14,19-20H,5-6,9,12H2,1H3,(H,22,25)(H2,23,24,27)/t19-,20?/m0/s1
InChIKeyLDLBNFRDZSWLGA-XJDOXCRVSA-N
XLogP3.91
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea with MolForge

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Related Compounds

1-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]-3-(3-pyridin-2-yl-1H-indazol-5-yl)urea
CID 25152352
1-[(1-methylpiperidin-2-yl)-phenylmethyl]-3-[3-(2-pyridin-3-ylethynyl)-2H-indazol-5-yl]urea
CID 68794056
3-iodo-5-[[(1-methylpiperidin-2-yl)-phenylmethyl]carbamoylamino]indazole-1-carboxylic acid
CID 68726088
1-(3-amino-7-fluoro-1H-indazol-5-yl)-3-[(1-methylpiperidin-2-yl)-phenylmethyl]urea
CID 68740421
3-benzamido-5-[[(1-methylpiperidin-2-yl)-phenylmethyl]carbamoylamino]indazole-1-carboxylic acid
CID 68724354
N-[cyclopropyl(phenyl)methyl]-1H-indazole-6-carboxamide
CID 167970891
(1S)-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-1-phenylmethanamine
CID 67869065
N-(1H-indazol-6-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 136529699
N-(1H-indazol-6-yl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110673734
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229
4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride
CID 67165144
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea (CID 25153813) is 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea is CN1CCCC[C@H]1C(NC(=O)Nc1ccc2cn[nH]c2c1)c1ccccc1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea?
The InChIKey is LDLBNFRDZSWLGA-XJDOXCRVSA-N. The full InChI is InChI=1S/C21H25N5O/c1-26-12-6-5-9-19(26)20(15-7-3-2-4-8-15)24-21(27)23-17-11-10-16-14-22-25-18(16)13-17/h2-4,7-8,10-11,13-14,19-20H,5-6,9,12H2,1H3,(H,22,25)(H2,23,24,27)/t19-,20?/m0/s1.
What are the key properties of 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea?
1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea has a molecular weight of 363.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea is sourced from PubChem (CID 25153813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).