2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

C28H29FN4O3 — CID 68558086

IUPAC2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCOC[C@H]1CCCN1c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C28H29FN4O3/c1-28(2,17-10-11-25(30-15-17)33-12-6-7-18(33)16-36-3)32-27(35)20-14-24-21(13-22(20)29)26(34)19-8-4-5-9-23(19)31-24/h4-5,8-11,13-15,18H,6-7,12,16H2,1-3H3,(H,31,34)(H,32,35)/t18-/m1/s1
InChIKeyIYMYAPJNFKHCHM-GOSISDBHSA-N
MW488.56 g/mol
LogP4.50
Rot. Bonds6

About 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 68558086) has the molecular formula C28H29FN4O3 and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID68558086
Molecular FormulaC28H29FN4O3
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC Name2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCOC[C@H]1CCCN1c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1
InChIInChI=1S/C28H29FN4O3/c1-28(2,17-10-11-25(30-15-17)33-12-6-7-18(33)16-36-3)32-27(35)20-14-24-21(13-22(20)29)26(34)19-8-4-5-9-23(19)31-24/h4-5,8-11,13-15,18H,6-7,12,16H2,1-3H3,(H,31,34)(H,32,35)/t18-/m1/s1
InChIKeyIYMYAPJNFKHCHM-GOSISDBHSA-N
XLogP4.50
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 68558086) is 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is COC[C@H]1CCCN1c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1.
What is the InChIKey of 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is IYMYAPJNFKHCHM-GOSISDBHSA-N. The full InChI is InChI=1S/C28H29FN4O3/c1-28(2,17-10-11-25(30-15-17)33-12-6-7-18(33)16-36-3)32-27(35)20-14-24-21(13-22(20)29)26(34)19-8-4-5-9-23(19)31-24/h4-5,8-11,13-15,18H,6-7,12,16H2,1-3H3,(H,31,34)(H,32,35)/t18-/m1/s1.
What are the key properties of 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 68558086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).