methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate

C33H36N8O4 — CID 137495138

IUPACmethyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)OC)nn4C)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C33H36N8O4/c1-21-28(23-17-25-29(32(42)45-4)37-39(2)31(25)34-18-23)38-41(24-13-9-6-10-14-24)30(21)36-33(43)35-27-20-40(15-16-44-3)19-26(27)22-11-7-5-8-12-22/h5-14,17-18,26-27H,15-16,19-20H2,1-4H3,(H2,35,36,43)/t26-,27+/m0/s1
InChIKeyKRPYSQJVZVLORW-RRPNLBNLSA-N
MW608.70 g/mol
LogP4.15
Rot. Bonds9

About methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate

methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 137495138) has the molecular formula C33H36N8O4 and a molecular weight of 608.70 g/mol. Its IUPAC name is methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID137495138
Molecular FormulaC33H36N8O4
Molecular Weight608.70 g/mol
Exact Mass608.29
IUPAC Namemethyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)OC)nn4C)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C33H36N8O4/c1-21-28(23-17-25-29(32(42)45-4)37-39(2)31(25)34-18-23)38-41(24-13-9-6-10-14-24)30(21)36-33(43)35-27-20-40(15-16-44-3)19-26(27)22-11-7-5-8-12-22/h5-14,17-18,26-27H,15-16,19-20H2,1-4H3,(H2,35,36,43)/t26-,27+/m0/s1
InChIKeyKRPYSQJVZVLORW-RRPNLBNLSA-N
XLogP4.15
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.70
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate with MolForge

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Related Compounds

N-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 156596359
ethyl 6-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710523
ethyl 6-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710524
ethyl 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 57394913
Ethyl 6-[(2-phenylacetyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732307
Ethyl 6-[(2-phenylacetyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732309
N-[[3-[3-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 164621206
2-(3-Ethyl-ureido)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid methyl ester
CID 44571954
(S)-3-(3-(4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl)pyrazolo[1,5-a]pyrimidin-5-yl)-4-isopropyloxazolidin-2-one
CID 67034339
(S)-3-(3-(4-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-fluoropyridin-2-yl)oxazolidin-2-one
CID 67034781
(S)-3-(3-(4-(5-(2-hydroxyethylamino)-1,3,4-oxadiazol-2-yl)phenyl)pyrazolo[1,5-a]pyrimidin-5-yl)-4-isopropyloxazolidin-2-one
CID 68088822
Methyl 4-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525614

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate (CID 137495138) is methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)OC)nn4C)nn2-c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is KRPYSQJVZVLORW-RRPNLBNLSA-N. The full InChI is InChI=1S/C33H36N8O4/c1-21-28(23-17-25-29(32(42)45-4)37-39(2)31(25)34-18-23)38-41(24-13-9-6-10-14-24)30(21)36-33(43)35-27-20-40(15-16-44-3)19-26(27)22-11-7-5-8-12-22/h5-14,17-18,26-27H,15-16,19-20H2,1-4H3,(H2,35,36,43)/t26-,27+/m0/s1.
What are the key properties of methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 608.70 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 137495138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).