methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate

C26H32N4O5 — CID 171832503

IUPACmethyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cnn(C)c2OCCC[C@@H](C)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C26H32N4O5/c1-18(15-27-26(32)35-17-20-10-6-5-7-11-20)9-8-12-34-24-22(16-28-30(24)3)23-14-21(25(31)33-4)13-19(2)29-23/h5-7,10-11,13-14,16,18H,8-9,12,15,17H2,1-4H3,(H,27,32)/t18-/m1/s1
InChIKeySBVMBQJAIALDNN-GOSISDBHSA-N
MW480.57 g/mol
LogP4.30
Rot. Bonds11

About methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate

methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate (PubChem CID 171832503) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate
PubChem CID171832503
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Namemethyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cnn(C)c2OCCC[C@@H](C)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C26H32N4O5/c1-18(15-27-26(32)35-17-20-10-6-5-7-11-20)9-8-12-34-24-22(16-28-30(24)3)23-14-21(25(31)33-4)13-19(2)29-23/h5-7,10-11,13-14,16,18H,8-9,12,15,17H2,1-4H3,(H,27,32)/t18-/m1/s1
InChIKeySBVMBQJAIALDNN-GOSISDBHSA-N
XLogP4.30
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate with MolForge

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Related Compounds

benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
CID 57242368
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 12647876
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate
CID 165437550
benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate
CID 119045213
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
benzyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 19049058
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171855435
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate (CID 171832503) is methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate is COC(=O)c1cc(C)nc(-c2cnn(C)c2OCCC[C@@H](C)CNC(=O)OCc2ccccc2)c1.
What is the InChIKey of methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate?
The InChIKey is SBVMBQJAIALDNN-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-18(15-27-26(32)35-17-20-10-6-5-7-11-20)9-8-12-34-24-22(16-28-30(24)3)23-14-21(25(31)33-4)13-19(2)29-23/h5-7,10-11,13-14,16,18H,8-9,12,15,17H2,1-4H3,(H,27,32)/t18-/m1/s1.
What are the key properties of methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate?
methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[1-methyl-5-[(4R)-4-methyl-5-(phenylmethoxycarbonylamino)pentoxy]pyrazol-4-yl]pyridine-4-carboxylate is sourced from PubChem (CID 171832503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).