N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C28H35N5OS — CID 158873872

IUPACN-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1C=C(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)s4)cc32)CCN1C(=O)NC1CC1
InChIInChI=1S/C28H35N5OS/c1-19-15-20(9-10-33(19)28(34)30-22-3-4-22)24-6-7-26-25(24)16-21(17-29-26)27-8-5-23(35-27)18-32-13-11-31(2)12-14-32/h5-6,8,15-17,19,22H,3-4,7,9-14,18H2,1-2H3,(H,30,34)
InChIKeyJCELDNOMJCYRKT-UHFFFAOYSA-N
MW489.69 g/mol
LogP4.39
Rot. Bonds5

About N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 158873872) has the molecular formula C28H35N5OS and a molecular weight of 489.69 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID158873872
Molecular FormulaC28H35N5OS
Molecular Weight489.69 g/mol
Exact Mass489.26
IUPAC NameN-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1C=C(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)s4)cc32)CCN1C(=O)NC1CC1
InChIInChI=1S/C28H35N5OS/c1-19-15-20(9-10-33(19)28(34)30-22-3-4-22)24-6-7-26-25(24)16-21(17-29-26)27-8-5-23(35-27)18-32-13-11-31(2)12-14-32/h5-6,8,15-17,19,22H,3-4,7,9-14,18H2,1-2H3,(H,30,34)
InChIKeyJCELDNOMJCYRKT-UHFFFAOYSA-N
XLogP4.39
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(5-(thiophen-2-yl)pyridin-3-yl)urea
CID 44427007
1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(5-(thiophen-3-yl)pyridin-3-yl)urea
CID 44427008
N-[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 127053729
N-{3-[(4-methylpiperazinyl)-2-pyridylmethyl]-4,5,6,7-tetrahydrobenzo[b]thiophe n-2-yl}acetamide
CID 3622080
4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 45269100
N-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 127053730
4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 45267320
4-[1-(3-methyl-1-benzothiophen-2-yl)ethenyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 45267322
4-(1-benzothiophen-2-ylmethyl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 45268173
1-Piperidinecarboxamide, 4-[(3-methylbenzo[b]thien-2-yl)methyl]-N-3-pyridinyl-
CID 45268174
4-[(3-ethyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 45268175
4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 45268177

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 158873872) is N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1C=C(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)s4)cc32)CCN1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is JCELDNOMJCYRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5OS/c1-19-15-20(9-10-33(19)28(34)30-22-3-4-22)24-6-7-26-25(24)16-21(17-29-26)27-8-5-23(35-27)18-32-13-11-31(2)12-14-32/h5-6,8,15-17,19,22H,3-4,7,9-14,18H2,1-2H3,(H,30,34).
What are the key properties of N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 489.69 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 158873872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).