N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide

C17H18ClN5O2 — CID 167957514

IUPACN-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide
SMILESCc1[nH]nc2ccc(C(=O)NCCN(C)C(=O)c3cc(Cl)c[nH]3)cc12
InChIInChI=1S/C17H18ClN5O2/c1-10-13-7-11(3-4-14(13)22-21-10)16(24)19-5-6-23(2)17(25)15-8-12(18)9-20-15/h3-4,7-9,20H,5-6H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyRODUEQNSYNDACZ-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.35
Rot. Bonds5

About N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide

N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide (PubChem CID 167957514) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide
PubChem CID167957514
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC NameN-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide
SMILESCc1[nH]nc2ccc(C(=O)NCCN(C)C(=O)c3cc(Cl)c[nH]3)cc12
InChIInChI=1S/C17H18ClN5O2/c1-10-13-7-11(3-4-14(13)22-21-10)16(24)19-5-6-23(2)17(25)15-8-12(18)9-20-15/h3-4,7-9,20H,5-6H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyRODUEQNSYNDACZ-UHFFFAOYSA-N
XLogP2.35
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589
N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 39578256
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2H-indazole-5-carboxamide
CID 154842688
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198
2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
CID 59765588
4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119058792
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 62034657
N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide
CID 167841529
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-2H-indazole-5-carboxamide
CID 10084500

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide?
The IUPAC name of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide (CID 167957514) is N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide is Cc1[nH]nc2ccc(C(=O)NCCN(C)C(=O)c3cc(Cl)c[nH]3)cc12.
What is the InChIKey of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide?
The InChIKey is RODUEQNSYNDACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10-13-7-11(3-4-14(13)22-21-10)16(24)19-5-6-23(2)17(25)15-8-12(18)9-20-15/h3-4,7-9,20H,5-6H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide?
N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-3-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 167957514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).