2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide

C19H16ClN5O — CID 73055943

IUPAC2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCCc1ccc(Cl)cc1-c1[nH]c(-c2ncnc3c2N=CC3)cc1C(N)=O
InChIInChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-12(10)16-13(19(21)26)8-15(25-16)18-17-14(5-6-22-17)23-9-24-18/h3-4,6-9,25H,2,5H2,1H3,(H2,21,26)
InChIKeyOVRVVQBXQSOPNB-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.71
Rot. Bonds4

About 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide

2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 73055943) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID73055943
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCCc1ccc(Cl)cc1-c1[nH]c(-c2ncnc3c2N=CC3)cc1C(N)=O
InChIInChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-12(10)16-13(19(21)26)8-15(25-16)18-17-14(5-6-22-17)23-9-24-18/h3-4,6-9,25H,2,5H2,1H3,(H2,21,26)
InChIKeyOVRVVQBXQSOPNB-UHFFFAOYSA-N
XLogP3.71
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-ethylphenyl)-5-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
CID 118129250
5-(6-aminopyrimidin-4-yl)-2-[2-ethyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 73056514
2-(5-chloro-2-ethylphenyl)-5-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-3-carbonitrile
CID 118129398
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-ethylphenyl)-4-iodo-1H-pyrrole-3-carboxamide
CID 90271347
3-[(5-chloro-2-ethylphenyl)methyl]-5-pyrrolo[2,1-f][1,2,4]triazin-4-yl-1H-pyrrole-2-carboxamide
CID 136634297
2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one
CID 84678785
5-[2-amino-5-[3-(azetidin-3-ylmethylamino)phenyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 71243782
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-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide;sulfuric acid
CID 52939598
3-(5-chloro-2-ethylphenyl)-1-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-2-carboxamide
CID 90034916
2-[2-chloro-5-(trifluoromethyl)phenyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
CID 73056222

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide (CID 73055943) is 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide is CCc1ccc(Cl)cc1-c1[nH]c(-c2ncnc3c2N=CC3)cc1C(N)=O.
What is the InChIKey of 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is OVRVVQBXQSOPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-12(10)16-13(19(21)26)8-15(25-16)18-17-14(5-6-22-17)23-9-24-18/h3-4,6-9,25H,2,5H2,1H3,(H2,21,26).
What are the key properties of 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide?
2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 73055943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).