N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide

C31H35N5O3 — CID 163494566

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide
SMILESO=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)C3CC3)cc2)c1)C1C=CC(N2CCC(CCO)CC2)=CC1
InChIInChI=1S/C31H35N5O3/c37-18-15-21-13-16-35(17-14-21)27-8-3-23(4-9-27)31(39)34-26-7-12-29-24(19-26)20-32-36(29)28-10-5-25(6-11-28)33-30(38)22-1-2-22/h3,5-12,19-23,37H,1-2,4,13-18H2,(H,33,38)(H,34,39)
InChIKeyCPOSOYCYJLABGS-UHFFFAOYSA-N
MW525.65 g/mol
LogP4.87
Rot. Bonds8

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 163494566) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID163494566
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide
SMILESO=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)C3CC3)cc2)c1)C1C=CC(N2CCC(CCO)CC2)=CC1
InChIInChI=1S/C31H35N5O3/c37-18-15-21-13-16-35(17-14-21)27-8-3-23(4-9-27)31(39)34-26-7-12-29-24(19-26)20-32-36(29)28-10-5-25(6-11-28)33-30(38)22-1-2-22/h3,5-12,19-23,37H,1-2,4,13-18H2,(H,33,38)(H,34,39)
InChIKeyCPOSOYCYJLABGS-UHFFFAOYSA-N
XLogP4.87
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 67686823
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-N-(3-hydroxypropyl)-1H-indole-6-carboxamide
CID 123584052
N-[4-[5-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 67113281
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 155744250
N-[1-[4-[[4-[3-(dimethylamino)pyrrolidin-1-yl]benzoyl]amino]phenyl]indazol-5-yl]thiophene-2-carboxamide
CID 67113207
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
tert-butyl 2-[5-[[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]benzoyl]amino]indol-1-yl]acetate
CID 67687189

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide (CID 163494566) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide is O=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)C3CC3)cc2)c1)C1C=CC(N2CCC(CCO)CC2)=CC1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is CPOSOYCYJLABGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c37-18-15-21-13-16-35(17-14-21)27-8-3-23(4-9-27)31(39)34-26-7-12-29-24(19-26)20-32-36(29)28-10-5-25(6-11-28)33-30(38)22-1-2-22/h3,5-12,19-23,37H,1-2,4,13-18H2,(H,33,38)(H,34,39).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 4.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 163494566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).