(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide

C23H34N6O5 — CID 86706361

IUPAC(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide
SMILESO=CN(C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Nc1ncccn1)OC1CCCCO1
InChIInChI=1S/C23H34N6O5/c30-16-28(34-20-8-3-4-13-33-20)15-18(14-17-6-1-2-7-17)22(32)29-19(9-12-26-29)21(31)27-23-24-10-5-11-25-23/h5,10-11,16-20,26H,1-4,6-9,12-15H2,(H,24,25,27,31)/t18-,19+,20?/m1/s1
InChIKeyKGNFKRAFSSOYDD-LFPSWIHMSA-N
MW474.56 g/mol
LogP1.63
Rot. Bonds10

About (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide

(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide (PubChem CID 86706361) has the molecular formula C23H34N6O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide
PubChem CID86706361
Molecular FormulaC23H34N6O5
Molecular Weight474.56 g/mol
Exact Mass474.26
IUPAC Name(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide
SMILESO=CN(C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Nc1ncccn1)OC1CCCCO1
InChIInChI=1S/C23H34N6O5/c30-16-28(34-20-8-3-4-13-33-20)15-18(14-17-6-1-2-7-17)22(32)29-19(9-12-26-29)21(31)27-23-24-10-5-11-25-23/h5,10-11,16-20,26H,1-4,6-9,12-15H2,(H,24,25,27,31)/t18-,19+,20?/m1/s1
InChIKeyKGNFKRAFSSOYDD-LFPSWIHMSA-N
XLogP1.63
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-pyrimidin-4-yldiazinane-3-carboxamide
CID 155511087
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoropyrimidin-2-yl)pyrazolidine-3-carboxamide
CID 66546512
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(2-fluoropyrimidin-4-yl)pyrazolidine-3-carboxamide
CID 66548823
2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoropyrimidin-2-yl)pyrazolidine-3-carboxamide
CID 77136692
2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(2-fluoropyrimidin-4-yl)pyrazolidine-3-carboxamide
CID 77137623
(3S)-2-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-N-(2-fluoropyrimidin-4-yl)pyrazolidine-3-carboxamide
CID 144439060
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidine-3-carboxamide
CID 66546132
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[2-(dimethylamino)pyrimidin-4-yl]pyrazolidine-3-carboxamide
CID 66546133
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]pyrazolidine-3-carboxamide
CID 66546135
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]pyrazolidine-3-carboxamide
CID 66546136
(3S)-2-((2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl)-N-{2-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-4-pyrimidinyl}-3-pyrazolidinecarboxamide
CID 66546321
(3S)-2-((2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl)-N-2-pyrimidinyl-3-pyrazolidine carboxamide
CID 66546322

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide (CID 86706361) is (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide is O=CN(C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Nc1ncccn1)OC1CCCCO1.
What is the InChIKey of (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is KGNFKRAFSSOYDD-LFPSWIHMSA-N. The full InChI is InChI=1S/C23H34N6O5/c30-16-28(34-20-8-3-4-13-33-20)15-18(14-17-6-1-2-7-17)22(32)29-19(9-12-26-29)21(31)27-23-24-10-5-11-25-23/h5,10-11,16-20,26H,1-4,6-9,12-15H2,(H,24,25,27,31)/t18-,19+,20?/m1/s1.
What are the key properties of (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide?
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 86706361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).