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

C19H26FN5O4 — CID 146803527

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Cc1ncc(F)cn1
InChIInChI=1S/C19H26FN5O4/c20-15-9-21-18(22-10-15)8-17(27)16-5-6-23-25(16)19(28)14(11-24(29)12-26)7-13-3-1-2-4-13/h9-10,12-14,16,23,29H,1-8,11H2/t14-,16+/m1/s1
InChIKeyRYJUFNQNTJYKGM-ZBFHGGJFSA-N
MW407.45 g/mol
LogP0.88
Rot. Bonds9

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

N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 146803527) has the molecular formula C19H26FN5O4 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID146803527
Molecular FormulaC19H26FN5O4
Molecular Weight407.45 g/mol
Exact Mass407.20
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Cc1ncc(F)cn1
InChIInChI=1S/C19H26FN5O4/c20-15-9-21-18(22-10-15)8-17(27)16-5-6-23-25(16)19(28)14(11-24(29)12-26)7-13-3-1-2-4-13/h9-10,12-14,16,23,29H,1-8,11H2/t14-,16+/m1/s1
InChIKeyRYJUFNQNTJYKGM-ZBFHGGJFSA-N
XLogP0.88
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-methoxypyrazin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 159188199
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(2-morpholin-4-ylpyrimidin-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 159982888
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 159255040
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-[2-[4-(dimethylamino)butyl]pyrimidin-4-yl]acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 158719308
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
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-fluoro-4-pyridinyl)acetyl]-2-methylpyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 159450616
2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 141033463
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-N-pyrimidin-2-ylpyrazolidine-3-carboxamide
CID 86706361

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (CID 146803527) is N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Cc1ncc(F)cn1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is RYJUFNQNTJYKGM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H26FN5O4/c20-15-9-21-18(22-10-15)8-17(27)16-5-6-23-25(16)19(28)14(11-24(29)12-26)7-13-3-1-2-4-13/h9-10,12-14,16,23,29H,1-8,11H2/t14-,16+/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 407.45 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(5-fluoropyrimidin-2-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 146803527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).