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

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

cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 177212466) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID	177212466
Molecular Formula	C25H24FN5O2
Molecular Weight	445.50 g/mol
Exact Mass	445.19
IUPAC Name	cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILES	Cc1ncc(C#Cc2ccc(N3CCO[C@@H](C)C3)cn2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChI	InChI=1S/C25H24FN5O2/c1-15-14-31(7-8-33-15)19-6-5-18(28-12-19)4-3-17-11-27-16(2)22-13-29-24(10-20(17)22)30-25(32)21-9-23(21)26/h5-6,10-13,15,21,23H,7-9,14H2,1-2H3,(H,29,30,32)/t15-,21+,23-/m0/s1
InChIKey	MDRGPQPHXHOTIQ-XFEAKLGESA-N
XLogP	3.25
TPSA	80.24 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.25
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-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 177212466) is cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

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

The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is Cc1ncc(C#Cc2ccc(N3CCO[C@@H](C)C3)cn2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.

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

The InChIKey is MDRGPQPHXHOTIQ-XFEAKLGESA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-15-14-31(7-8-33-15)19-6-5-18(28-12-19)4-3-17-11-27-16(2)22-13-29-24(10-20(17)22)30-25(32)21-9-23(21)26/h5-6,10-13,15,21,23H,7-9,14H2,1-2H3,(H,29,30,32)/t15-,21+,23-/m0/s1.

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

cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-2-fluoro-N-[8-methyl-5-[2-[5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 177212466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).