4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide

C25H27N7O2S — CID 69179376

IUPAC4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c3c(C(=O)Nc4ccc(NC(=O)NC5CCCCC5)cc4)csc23)cn1
InChIInChI=1S/C25H27N7O2S/c1-32-13-15(11-28-32)19-12-27-23(26)21-20(14-35-22(19)21)24(33)29-17-7-9-18(10-8-17)31-25(34)30-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,26,27)(H,29,33)(H2,30,31,34)
InChIKeyNRXPWINXRMWSGT-UHFFFAOYSA-N
MW489.61 g/mol
LogP4.99
Rot. Bonds5

About 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide

4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide (PubChem CID 69179376) has the molecular formula C25H27N7O2S and a molecular weight of 489.61 g/mol. Its IUPAC name is 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide
PubChem CID69179376
Molecular FormulaC25H27N7O2S
Molecular Weight489.61 g/mol
Exact Mass489.19
IUPAC Name4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c3c(C(=O)Nc4ccc(NC(=O)NC5CCCCC5)cc4)csc23)cn1
InChIInChI=1S/C25H27N7O2S/c1-32-13-15(11-28-32)19-12-27-23(26)21-20(14-35-22(19)21)24(33)29-17-7-9-18(10-8-17)31-25(34)30-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,26,27)(H,29,33)(H2,30,31,34)
InChIKeyNRXPWINXRMWSGT-UHFFFAOYSA-N
XLogP4.99
TPSA126.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-7-(1-methylpyrazol-4-yl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]thieno[3,2-c]pyridine-3-carboxamide
CID 69204361
1-[4-[4-amino-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 70685599
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-[4-[4-amino-7-(1-ethylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 168972856
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 110748319
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide (CID 69179376) is 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c3c(C(=O)Nc4ccc(NC(=O)NC5CCCCC5)cc4)csc23)cn1.
What is the InChIKey of 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is NRXPWINXRMWSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S/c1-32-13-15(11-28-32)19-12-27-23(26)21-20(14-35-22(19)21)24(33)29-17-7-9-18(10-8-17)31-25(34)30-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,26,27)(H,29,33)(H2,30,31,34).
What are the key properties of 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide?
4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 489.61 g/mol, XLogP of 4.99, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(cyclohexylcarbamoylamino)phenyl]-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 69179376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).