N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide

C20H26FN5O3 — CID 58016154

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1C[C@H](F)C[C@H]1c1nc2ccncc2[nH]1
InChIInChI=1S/C20H26FN5O3/c21-15-8-18(19-23-16-5-6-22-9-17(16)24-19)26(11-15)20(28)14(10-25(29)12-27)7-13-3-1-2-4-13/h5-6,9,12-15,18,29H,1-4,7-8,10-11H2,(H,23,24)/t14-,15-,18+/m1/s1
InChIKeyXFZZKUSKWRAIPW-RKVPGOIHSA-N
MW403.46 g/mol
LogP2.61
Rot. Bonds7

About N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58016154) has the molecular formula C20H26FN5O3 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58016154
Molecular FormulaC20H26FN5O3
Molecular Weight403.46 g/mol
Exact Mass403.20
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1C[C@H](F)C[C@H]1c1nc2ccncc2[nH]1
InChIInChI=1S/C20H26FN5O3/c21-15-8-18(19-23-16-5-6-22-9-17(16)24-19)26(11-15)20(28)14(10-25(29)12-27)7-13-3-1-2-4-13/h5-6,9,12-15,18,29H,1-4,7-8,10-11H2,(H,23,24)/t14-,15-,18+/m1/s1
InChIKeyXFZZKUSKWRAIPW-RKVPGOIHSA-N
XLogP2.61
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide (CID 58016154) is N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1C[C@H](F)C[C@H]1c1nc2ccncc2[nH]1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is XFZZKUSKWRAIPW-RKVPGOIHSA-N. The full InChI is InChI=1S/C20H26FN5O3/c21-15-8-18(19-23-16-5-6-22-9-17(16)24-19)26(11-15)20(28)14(10-25(29)12-27)7-13-3-1-2-4-13/h5-6,9,12-15,18,29H,1-4,7-8,10-11H2,(H,23,24)/t14-,15-,18+/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 403.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[(2S,4R)-4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58016154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).