2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide

C27H34FN7O — CID 138590634

IUPAC2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCn1ncc(-c2ccc3cnc(NC(=O)C4CC5(C4)CN(CCF)C5)cc3n2)c1CN1CCCCC1
InChIInChI=1S/C27H34FN7O/c1-33-24(16-34-8-3-2-4-9-34)21(15-30-33)22-6-5-19-14-29-25(11-23(19)31-22)32-26(36)20-12-27(13-20)17-35(18-27)10-7-28/h5-6,11,14-15,20H,2-4,7-10,12-13,16-18H2,1H3,(H,29,32,36)
InChIKeyLHSVZUBVCUAVIT-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.64
Rot. Bonds7

About 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide

2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 138590634) has the molecular formula C27H34FN7O and a molecular weight of 491.62 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID138590634
Molecular FormulaC27H34FN7O
Molecular Weight491.62 g/mol
Exact Mass491.28
IUPAC Name2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCn1ncc(-c2ccc3cnc(NC(=O)C4CC5(C4)CN(CCF)C5)cc3n2)c1CN1CCCCC1
InChIInChI=1S/C27H34FN7O/c1-33-24(16-34-8-3-2-4-9-34)21(15-30-33)22-6-5-19-14-29-25(11-23(19)31-22)32-26(36)20-12-27(13-20)17-35(18-27)10-7-28/h5-6,11,14-15,20H,2-4,7-10,12-13,16-18H2,1H3,(H,29,32,36)
InChIKeyLHSVZUBVCUAVIT-UHFFFAOYSA-N
XLogP3.64
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluoroethyl)-N-[7-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]quinazolin-2-yl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 138588893
1-benzoyl-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138590658
N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-(2-methylpropyl)cyclohexane-1-carboxamide
CID 135302487
1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138588479
N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138589121
4-fluoro-N-[6-[1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138588716
4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138590946
4-methyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide
CID 157330399
1-[4-fluoro-1-(2-fluoroethyl)piperidin-4-yl]-2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 152803539
N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 138587815
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide (CID 138590634) is 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide is Cn1ncc(-c2ccc3cnc(NC(=O)C4CC5(C4)CN(CCF)C5)cc3n2)c1CN1CCCCC1.
What is the InChIKey of 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is LHSVZUBVCUAVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7O/c1-33-24(16-34-8-3-2-4-9-34)21(15-30-33)22-6-5-19-14-29-25(11-23(19)31-22)32-26(36)20-12-27(13-20)17-35(18-27)10-7-28/h5-6,11,14-15,20H,2-4,7-10,12-13,16-18H2,1H3,(H,29,32,36).
What are the key properties of 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 138590634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).