2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide

C20H26N6O2S — CID 130205106

IUPAC2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)Nc3cnn(C)c3C3CCCC(N)CC3)c(N)sc2c1
InChIInChI=1S/C20H26N6O2S/c1-26-18(11-4-3-5-12(21)7-6-11)14(10-24-26)25-20(27)16-17-15(29-19(16)22)8-13(28-2)9-23-17/h8-12H,3-7,21-22H2,1-2H3,(H,25,27)
InChIKeyNVRKLURYIHRSDA-UHFFFAOYSA-N
MW414.54 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide

2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide (PubChem CID 130205106) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide
PubChem CID130205106
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC Name2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)Nc3cnn(C)c3C3CCCC(N)CC3)c(N)sc2c1
InChIInChI=1S/C20H26N6O2S/c1-26-18(11-4-3-5-12(21)7-6-11)14(10-24-26)25-20(27)16-17-15(29-19(16)22)8-13(28-2)9-23-17/h8-12H,3-7,21-22H2,1-2H3,(H,25,27)
InChIKeyNVRKLURYIHRSDA-UHFFFAOYSA-N
XLogP3.25
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856300
5-amino-N-[1-(5-methoxy-3-pyridinyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 137646286
US10000507, Example 12
CID 117901755
US10000507, Example 14
CID 117902016
(4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 164631485
N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
CID 58386007
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
CID 58386032
5-amino-N-[[5-(difluoromethoxy)pyridin-2-yl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777327
N-(6-amino-2,2-difluoro-1-methylcyclohexyl)-4-[6-(5-fluorohepta-2,4-dien-2-yl)-4-methoxypyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
CID 90984657
5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691555
3-(3-fluoro-2-methoxyanilino)-2-(2-methoxythieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235506
3-[2-(difluoromethoxy)-3-fluoroanilino]-2-thieno[3,2-b]pyridin-7-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235521

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide (CID 130205106) is 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide is COc1cnc2c(C(=O)Nc3cnn(C)c3C3CCCC(N)CC3)c(N)sc2c1.
What is the InChIKey of 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is NVRKLURYIHRSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-26-18(11-4-3-5-12(21)7-6-11)14(10-24-26)25-20(27)16-17-15(29-19(16)22)8-13(28-2)9-23-17/h8-12H,3-7,21-22H2,1-2H3,(H,25,27).
What are the key properties of 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide?
2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 414.54 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(4-aminocycloheptyl)-1-methylpyrazol-4-yl]-6-methoxythieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 130205106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).