N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide

C34H46N8O3S — CID 172562789

IUPACN-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide
SMILES[2H]c1n[nH]c2c(C)cc(C[C@@H](NC(=O)N3CCC(c4cc5c([nH]c4=O)SCC5)CC3)C(=O)N3CCN(C4CCN(C([2H])([2H])[2H])CC4)CC3)cc12
InChIInChI=1S/C34H46N8O3S/c1-22-17-23(18-26-21-35-38-30(22)26)19-29(33(44)41-14-12-40(13-15-41)27-5-8-39(2)9-6-27)36-34(45)42-10-3-24(4-11-42)28-20-25-7-16-46-32(25)37-31(28)43/h17-18,20-21,24,27,29H,3-16,19H2,1-2H3,(H,35,38)(H,36,45)(H,37,43)/t29-/m1/s1/i2D3,21D
InChIKeyREGCQEVFQHVSNL-UMTNBGLRSA-N
MW650.89 g/mol
LogP2.95
Rot. Bonds7

About N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide

N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide (PubChem CID 172562789) has the molecular formula C34H46N8O3S and a molecular weight of 650.89 g/mol. Its IUPAC name is N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide
PubChem CID172562789
Molecular FormulaC34H46N8O3S
Molecular Weight650.89 g/mol
Exact Mass650.37
IUPAC NameN-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide
SMILES[2H]c1n[nH]c2c(C)cc(C[C@@H](NC(=O)N3CCC(c4cc5c([nH]c4=O)SCC5)CC3)C(=O)N3CCN(C4CCN(C([2H])([2H])[2H])CC4)CC3)cc12
InChIInChI=1S/C34H46N8O3S/c1-22-17-23(18-26-21-35-38-30(22)26)19-29(33(44)41-14-12-40(13-15-41)27-5-8-39(2)9-6-27)36-34(45)42-10-3-24(4-11-42)28-20-25-7-16-46-32(25)37-31(28)43/h17-18,20-21,24,27,29H,3-16,19H2,1-2H3,(H,35,38)(H,36,45)(H,37,43)/t29-/m1/s1/i2D3,21D
InChIKeyREGCQEVFQHVSNL-UMTNBGLRSA-N
XLogP2.95
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.89
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide
CID 172562800
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl]-4-(7-oxo-2,3,4,8-tetrahydrothiopyrano[2,3-b]pyridin-6-yl)piperidine-1-carboxamide
CID 172562788
N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 175525696
4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 127027501
tert-butyl N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 175525691
[3-[1-[[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl pent-4-enyl carbonate
CID 166706942
[3-[1-[[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl decanoate
CID 166706901
[7-methyl-5-[3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl tetradecyl carbonate
CID 166707009
[7-methyl-5-[3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl icosanoate
CID 156767342
N-[1-[4-(4-fluorocyclohexyl)piperazin-1-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 58984821
[1-methyl-4-[4-[3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperazin-1-yl]piperidin-1-ium-1-yl]methyl N-hexyl-N-methylcarbamate
CID 166707105
N-[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 10077700

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide (CID 172562789) is N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide is [2H]c1n[nH]c2c(C)cc(C[C@@H](NC(=O)N3CCC(c4cc5c([nH]c4=O)SCC5)CC3)C(=O)N3CCN(C4CCN(C([2H])([2H])[2H])CC4)CC3)cc12.
What is the InChIKey of N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide?
The InChIKey is REGCQEVFQHVSNL-UMTNBGLRSA-N. The full InChI is InChI=1S/C34H46N8O3S/c1-22-17-23(18-26-21-35-38-30(22)26)19-29(33(44)41-14-12-40(13-15-41)27-5-8-39(2)9-6-27)36-34(45)42-10-3-24(4-11-42)28-20-25-7-16-46-32(25)37-31(28)43/h17-18,20-21,24,27,29H,3-16,19H2,1-2H3,(H,35,38)(H,36,45)(H,37,43)/t29-/m1/s1/i2D3,21D.
What are the key properties of N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide?
N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide has a molecular weight of 650.89 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3-deuterio-7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-[1-(trideuteriomethyl)piperidin-4-yl]piperazin-1-yl]propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 172562789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).