N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide

C29H30N6O3 — CID 67113374

IUPACN-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
SMILESNCC1(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCOCC6)cc5)ccc43)cc2)CC1
InChIInChI=1S/C29H30N6O3/c30-19-29(11-12-29)28(37)33-22-3-8-25(9-4-22)35-26-10-5-23(17-21(26)18-31-35)32-27(36)20-1-6-24(7-2-20)34-13-15-38-16-14-34/h1-10,17-18H,11-16,19,30H2,(H,32,36)(H,33,37)
InChIKeyLLCKWNCMTBHPCN-UHFFFAOYSA-N
MW510.60 g/mol
LogP3.79
Rot. Bonds7

About N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide

N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide (PubChem CID 67113374) has the molecular formula C29H30N6O3 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
PubChem CID67113374
Molecular FormulaC29H30N6O3
Molecular Weight510.60 g/mol
Exact Mass510.24
IUPAC NameN-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
SMILESNCC1(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCOCC6)cc5)ccc43)cc2)CC1
InChIInChI=1S/C29H30N6O3/c30-19-29(11-12-29)28(37)33-22-3-8-25(9-4-22)35-26-10-5-23(17-21(26)18-31-35)32-27(36)20-1-6-24(7-2-20)34-13-15-38-16-14-34/h1-10,17-18H,11-16,19,30H2,(H,32,36)(H,33,37)
InChIKeyLLCKWNCMTBHPCN-UHFFFAOYSA-N
XLogP3.79
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 67686823
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
CID 67113503
4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 67113731
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
N-[4-[5-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 67113281

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide (CID 67113374) is N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide is NCC1(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCOCC6)cc5)ccc43)cc2)CC1.
What is the InChIKey of N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is LLCKWNCMTBHPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3/c30-19-29(11-12-29)28(37)33-22-3-8-25(9-4-22)35-26-10-5-23(17-21(26)18-31-35)32-27(36)20-1-6-24(7-2-20)34-13-15-38-16-14-34/h1-10,17-18H,11-16,19,30H2,(H,32,36)(H,33,37).
What are the key properties of N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide?
N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 510.60 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 67113374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).