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

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

cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 177212927) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID	177212927
Molecular Formula	C25H23ClFN5O2
Molecular Weight	479.94 g/mol
Exact Mass	479.15
IUPAC Name	cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILES	Cc1ncc(C#Cc2ncc(N3CCO[C@@H](C)C3)cc2Cl)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChI	InChI=1S/C25H23ClFN5O2/c1-14-13-32(5-6-34-14)17-7-21(26)23(29-11-17)4-3-16-10-28-15(2)20-12-30-24(9-18(16)20)31-25(33)19-8-22(19)27/h7,9-12,14,19,22H,5-6,8,13H2,1-2H3,(H,30,31,33)/t14-,19+,22-/m0/s1
InChIKey	GKKCZELGEBOEOP-BANJIEJESA-N
XLogP	3.91
TPSA	80.24 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.94
LogP ≤ 5	3.91
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)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 177212927) is cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

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

The canonical SMILES for cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cc1ncc(C#Cc2ncc(N3CCO[C@@H](C)C3)cc2Cl)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.

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

The InChIKey is GKKCZELGEBOEOP-BANJIEJESA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c1-14-13-32(5-6-34-14)17-7-21(26)23(29-11-17)4-3-16-10-28-15(2)20-12-30-24(9-18(16)20)31-25(33)19-8-22(19)27/h7,9-12,14,19,22H,5-6,8,13H2,1-2H3,(H,30,31,33)/t14-,19+,22-/m0/s1.

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

cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[5-[2-[3-chloro-5-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 177212927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).