1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea

C22H25N5O — CID 11451659

IUPAC1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C22H25N5O/c28-22(24-19-5-4-6-21-18(19)14-23-26-21)25-20-10-7-15-13-16(8-9-17(15)20)27-11-2-1-3-12-27/h4-6,8-9,13-14,20H,1-3,7,10-12H2,(H,23,26)(H2,24,25,28)/t20-/m1/s1
InChIKeySVYGRCSOIPQXGO-HXUWFJFHSA-N
MW375.48 g/mol
LogP4.36
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea

1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 11451659) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID11451659
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C22H25N5O/c28-22(24-19-5-4-6-21-18(19)14-23-26-21)25-20-10-7-15-13-16(8-9-17(15)20)27-11-2-1-3-12-27/h4-6,8-9,13-14,20H,1-3,7,10-12H2,(H,23,26)(H2,24,25,28)/t20-/m1/s1
InChIKeySVYGRCSOIPQXGO-HXUWFJFHSA-N
XLogP4.36
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea (CID 11451659) is 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(N3CCCCC3)ccc21.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is SVYGRCSOIPQXGO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(24-19-5-4-6-21-18(19)14-23-26-21)25-20-10-7-15-13-16(8-9-17(15)20)27-11-2-1-3-12-27/h4-6,8-9,13-14,20H,1-3,7,10-12H2,(H,23,26)(H2,24,25,28)/t20-/m1/s1.
What are the key properties of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?
1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 375.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 11451659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).