cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

About cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 177212781) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID	177212781
Molecular Formula	C24H22FN5O2
Molecular Weight	431.47 g/mol
Exact Mass	431.18
IUPAC Name	cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILES	Cc1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(NC(=O)[C@H]3C[C@H]3F)ncc12
InChI	InChI=1S/C24H22FN5O2/c1-15-21-14-28-23(29-24(31)20-10-22(20)25)11-19(21)16(12-26-15)2-3-17-4-5-18(13-27-17)30-6-8-32-9-7-30/h4-5,11-14,20,22H,6-10H2,1H3,(H,28,29,31)/t20-,22+/m0/s1
InChIKey	URXORPKICKCANR-RBBKRZOGSA-N
XLogP	2.87
TPSA	80.24 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.47
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 177212781) is cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is Cc1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(NC(=O)[C@H]3C[C@H]3F)ncc12.

What is the InChIKey of cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

The InChIKey is URXORPKICKCANR-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-21-14-28-23(29-24(31)20-10-22(20)25)11-19(21)16(12-26-15)2-3-17-4-5-18(13-27-17)30-6-8-32-9-7-30/h4-5,11-14,20,22H,6-10H2,1H3,(H,28,29,31)/t20-,22+/m0/s1.

What are the key properties of cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 177212781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).