5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide

C18H17ClFN5O — CID 66571200

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NCCF
InChIInChI=1S/C18H17ClFN5O/c1-10-2-3-11(19)8-12(10)16-13(17(26)22-7-5-20)9-15(24-16)14-4-6-23-18(21)25-14/h2-4,6,8-9,24H,5,7H2,1H3,(H,22,26)(H2,21,23,25)
InChIKeyPNYZVAIGFZQRDS-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.38
Rot. Bonds5

About 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide (PubChem CID 66571200) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
PubChem CID66571200
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NCCF
InChIInChI=1S/C18H17ClFN5O/c1-10-2-3-11(19)8-12(10)16-13(17(26)22-7-5-20)9-15(24-16)14-4-6-23-18(21)25-14/h2-4,6,8-9,24H,5,7H2,1H3,(H,22,26)(H2,21,23,25)
InChIKeyPNYZVAIGFZQRDS-UHFFFAOYSA-N
XLogP3.38
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide;sulfuric acid
CID 52939598
5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 70979559
2-[5-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1H-pyrrol-3-yl]benzamide
CID 175261561
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide
CID 66571378
tert-butyl N-[2-[4-[2-[2-amino-4-[4-carbamoyl-5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-5-yl]ethynyl]anilino]ethyl]carbamate
CID 71498353
5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 24809837
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
5-[2-amino-5-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498571
5-[2-amino-5-[2-(4-bromo-2-fluorophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71498503
5-[2-amino-5-[3-(azetidin-3-ylmethylamino)phenyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71243782
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
2-[5-(2-aminopyrimidin-4-yl)-2-(2-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]benzamide;hydrochloride
CID 175272229

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide (CID 66571200) is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide is Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NCCF.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is PNYZVAIGFZQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-10-2-3-11(19)8-12(10)16-13(17(26)22-7-5-20)9-15(24-16)14-4-6-23-18(21)25-14/h2-4,6,8-9,24H,5,7H2,1H3,(H,22,26)(H2,21,23,25).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 66571200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).