N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide

C29H27N5O3 — CID 123584052

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(-n2ncc3cc(N(CCCO)C(=O)c4ccc5cc[nH]c5c4)ccc32)cc1)C1CC1
InChIInChI=1S/C29H27N5O3/c35-15-1-14-33(29(37)21-5-2-19-12-13-30-26(19)17-21)25-10-11-27-22(16-25)18-31-34(27)24-8-6-23(7-9-24)32-28(36)20-3-4-20/h2,5-13,16-18,20,30,35H,1,3-4,14-15H2,(H,32,36)
InChIKeyWWBIJMICDZCBFE-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.88
Rot. Bonds8

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide (PubChem CID 123584052) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide
PubChem CID123584052
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(-n2ncc3cc(N(CCCO)C(=O)c4ccc5cc[nH]c5c4)ccc32)cc1)C1CC1
InChIInChI=1S/C29H27N5O3/c35-15-1-14-33(29(37)21-5-2-19-12-13-30-26(19)17-21)25-10-11-27-22(16-25)18-31-34(27)24-8-6-23(7-9-24)32-28(36)20-3-4-20/h2,5-13,16-18,20,30,35H,1,3-4,14-15H2,(H,32,36)
InChIKeyWWBIJMICDZCBFE-UHFFFAOYSA-N
XLogP4.88
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide (CID 123584052) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide is O=C(Nc1ccc(-n2ncc3cc(N(CCCO)C(=O)c4ccc5cc[nH]c5c4)ccc32)cc1)C1CC1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide?
The InChIKey is WWBIJMICDZCBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c35-15-1-14-33(29(37)21-5-2-19-12-13-30-26(19)17-21)25-10-11-27-22(16-25)18-31-34(27)24-8-6-23(7-9-24)32-28(36)20-3-4-20/h2,5-13,16-18,20,30,35H,1,3-4,14-15H2,(H,32,36).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 123584052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).