N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide

C23H34N6O5 — CID 159982888

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C23H34N6O5/c30-16-28(33)15-19(11-17-3-1-2-4-17)22(32)29-20(5-6-26-29)21(31)12-18-13-24-23(25-14-18)27-7-9-34-10-8-27/h13-14,16-17,19-20,26,33H,1-12,15H2/t19-,20+/m1/s1
InChIKeyOFZNTBZOGKFCLM-UXHICEINSA-N
MW474.56 g/mol
LogP0.57
Rot. Bonds10

About N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 159982888) has the molecular formula C23H34N6O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID159982888
Molecular FormulaC23H34N6O5
Molecular Weight474.56 g/mol
Exact Mass474.26
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C23H34N6O5/c30-16-28(33)15-19(11-17-3-1-2-4-17)22(32)29-20(5-6-26-29)21(31)12-18-13-24-23(25-14-18)27-7-9-34-10-8-27/h13-14,16-17,19-20,26,33H,1-12,15H2/t19-,20+/m1/s1
InChIKeyOFZNTBZOGKFCLM-UXHICEINSA-N
XLogP0.57
TPSA128.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 146803527
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 159188199
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 159255040
N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide
CID 77137106
(3S)-N-(2H-benzotriazol-5-yl)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide
CID 66548080
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[5-(4-methoxyphenyl)-2-pyridinyl]pyrazolidine-3-carboxamide
CID 66547740
2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(7-methylpurin-6-yl)pyrazolidine-3-carboxamide
CID 77137546
ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate
CID 77137105
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide
CID 86706361
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 56683894
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-3-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 56663530
(2R)-N-[[2-chloro-5-fluoro-6-(3-morpholin-4-ylpropyl)pyrimidin-4-yl]methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 162024781

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (CID 159982888) is N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Cc1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is OFZNTBZOGKFCLM-UXHICEINSA-N. The full InChI is InChI=1S/C23H34N6O5/c30-16-28(33)15-19(11-17-3-1-2-4-17)22(32)29-20(5-6-26-29)21(31)12-18-13-24-23(25-14-18)27-7-9-34-10-8-27/h13-14,16-17,19-20,26,33H,1-12,15H2/t19-,20+/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 474.56 g/mol, XLogP of 0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 159982888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).