N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

C25H25FN6O2 — CID 73334773

IUPACN-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCn1cc([C@@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cccc(F)c2)cn1
InChIInChI=1S/C25H25FN6O2/c1-32-15-18(14-28-32)24(16-3-2-4-19(26)11-16)31-25(33)21-6-5-17-13-27-23(12-22(17)30-21)29-20-7-9-34-10-8-20/h2-6,11-15,20,24H,7-10H2,1H3,(H,27,29)(H,31,33)/t24-/m0/s1
InChIKeyIBZNBXHJWJLZKM-DEOSSOPVSA-N
MW460.51 g/mol
LogP3.61
Rot. Bonds6

About N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (PubChem CID 73334773) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
PubChem CID73334773
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC NameN-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCn1cc([C@@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cccc(F)c2)cn1
InChIInChI=1S/C25H25FN6O2/c1-32-15-18(14-28-32)24(16-3-2-4-19(26)11-16)31-25(33)21-6-5-17-13-27-23(12-22(17)30-21)29-20-7-9-34-10-8-20/h2-6,11-15,20,24H,7-10H2,1H3,(H,27,29)(H,31,33)/t24-/m0/s1
InChIKeyIBZNBXHJWJLZKM-DEOSSOPVSA-N
XLogP3.61
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (CID 73334773) is N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is Cn1cc([C@@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cccc(F)c2)cn1.
What is the InChIKey of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The InChIKey is IBZNBXHJWJLZKM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-32-15-18(14-28-32)24(16-3-2-4-19(26)11-16)31-25(33)21-6-5-17-13-27-23(12-22(17)30-21)29-20-7-9-34-10-8-20/h2-6,11-15,20,24H,7-10H2,1H3,(H,27,29)(H,31,33)/t24-/m0/s1.
What are the key properties of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 73334773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).