N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide

C23H18N6O2S2 — CID 59608093

IUPACN-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2cccs2)cc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21
InChIInChI=1S/C23H18N6O2S2/c1-29-18(26-22(31)17-7-4-10-33-17)11-15-19(20(30)16-6-3-9-32-16)27-23(28-21(15)29)25-13-14-5-2-8-24-12-14/h2-12H,13H2,1H3,(H,26,31)(H,25,27,28)
InChIKeyNJCCGGONZCZCJO-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.58
Rot. Bonds7

About N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide

N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide (PubChem CID 59608093) has the molecular formula C23H18N6O2S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide
PubChem CID59608093
Molecular FormulaC23H18N6O2S2
Molecular Weight474.57 g/mol
Exact Mass474.09
IUPAC NameN-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2cccs2)cc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21
InChIInChI=1S/C23H18N6O2S2/c1-29-18(26-22(31)17-7-4-10-33-17)11-15-19(20(30)16-6-3-9-32-16)27-23(28-21(15)29)25-13-14-5-2-8-24-12-14/h2-12H,13H2,1H3,(H,26,31)(H,25,27,28)
InChIKeyNJCCGGONZCZCJO-UHFFFAOYSA-N
XLogP4.58
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[6-bromo-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 59608085
[7-methyl-5-(4-methylsulfonylphenyl)-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 59608082
[6-chloro-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 46883208
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999241
N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 75385509
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26591240
methyl 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
CID 68774317
(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883108

Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide (CID 59608093) is N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide is Cn1c(NC(=O)c2cccs2)cc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21.
What is the InChIKey of N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide?
The InChIKey is NJCCGGONZCZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S2/c1-29-18(26-22(31)17-7-4-10-33-17)11-15-19(20(30)16-6-3-9-32-16)27-23(28-21(15)29)25-13-14-5-2-8-24-12-14/h2-12H,13H2,1H3,(H,26,31)(H,25,27,28).
What are the key properties of N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide?
N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59608093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).