N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C24H32N8OS — CID 46239417

IUPACN-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCN1CCn2nc(Nc3ncc(N4CCC[C@H](NC(=O)c5cc6c(s5)CCCC6)C4)[nH]3)cc2C1
InChIInChI=1S/C24H32N8OS/c1-30-9-10-32-18(15-30)12-21(29-32)27-24-25-13-22(28-24)31-8-4-6-17(14-31)26-23(33)20-11-16-5-2-3-7-19(16)34-20/h11-13,17H,2-10,14-15H2,1H3,(H,26,33)(H2,25,27,28,29)/t17-/m0/s1
InChIKeyBWFYQOJKTDAXMK-KRWDZBQOSA-N
MW480.64 g/mol
LogP3.13
Rot. Bonds5

About N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 46239417) has the molecular formula C24H32N8OS and a molecular weight of 480.64 g/mol. Its IUPAC name is N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID46239417
Molecular FormulaC24H32N8OS
Molecular Weight480.64 g/mol
Exact Mass480.24
IUPAC NameN-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCN1CCn2nc(Nc3ncc(N4CCC[C@H](NC(=O)c5cc6c(s5)CCCC6)C4)[nH]3)cc2C1
InChIInChI=1S/C24H32N8OS/c1-30-9-10-32-18(15-30)12-21(29-32)27-24-25-13-22(28-24)31-8-4-6-17(14-31)26-23(33)20-11-16-5-2-3-7-19(16)34-20/h11-13,17H,2-10,14-15H2,1H3,(H,26,33)(H2,25,27,28,29)/t17-/m0/s1
InChIKeyBWFYQOJKTDAXMK-KRWDZBQOSA-N
XLogP3.13
TPSA94.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-1,3-oxazol-5-yl]piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 75182888
N-[(3R)-1-[1-methyl-5-[[3-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydropyridin-2-yl]amino]-6-oxopyridazin-3-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134355160
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
4-(1-methylcyclopropyl)-N-[(3R)-1-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxopyridazin-3-yl]piperidin-3-yl]benzamide
CID 67428510
3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
4-tert-butyl-N-[1-[7-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-yl]benzamide
CID 75182990
cis-(1R,3S)-3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 120678419
N-[(3R)-1-(2-amino-2-oxoethyl)piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 95172740
N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 120600778
N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 46239417) is N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CN1CCn2nc(Nc3ncc(N4CCC[C@H](NC(=O)c5cc6c(s5)CCCC6)C4)[nH]3)cc2C1.
What is the InChIKey of N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is BWFYQOJKTDAXMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H32N8OS/c1-30-9-10-32-18(15-30)12-21(29-32)27-24-25-13-22(28-24)31-8-4-6-17(14-31)26-23(33)20-11-16-5-2-3-7-19(16)34-20/h11-13,17H,2-10,14-15H2,1H3,(H,26,33)(H2,25,27,28,29)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 480.64 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-imidazol-5-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46239417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).