trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C25H19F2N7O2 — CID 156477451

IUPACtrans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCN1C=C(C=N1)[C@H]2C[C@@H]2C(=O)NC3=CC4=CC(=NC(=C4C=N3)N)C5=C(C=C(C=C5F)C6=NC=CO6)F
InChIInChI=1S/C25H19F2N7O2/c1-34-11-14(9-31-34)15-8-16(15)24(35)33-21-7-12-6-20(32-23(28)17(12)10-30-21)22-18(26)4-13(5-19(22)27)25-29-2-3-36-25/h2-7,9-11,15-16H,8H2,1H3,(H2,28,32)(H,30,33,35)/t15-,16+/m1/s1
InChIKeySRVCAPMDNIWQPR-CVEARBPZSA-N
MW487.50 g/mol
LogP2.30
Rot. Bonds5

About trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 156477451) has the molecular formula C25H19F2N7O2 and a molecular weight of 487.50 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID156477451
Molecular FormulaC25H19F2N7O2
Molecular Weight487.50 g/mol
Exact Mass487.16
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCN1C=C(C=N1)[C@H]2C[C@@H]2C(=O)NC3=CC4=CC(=NC(=C4C=N3)N)C5=C(C=C(C=C5F)C6=NC=CO6)F
InChIInChI=1S/C25H19F2N7O2/c1-34-11-14(9-31-34)15-8-16(15)24(35)33-21-7-12-6-20(32-23(28)17(12)10-30-21)22-18(26)4-13(5-19(22)27)25-29-2-3-36-25/h2-7,9-11,15-16H,8H2,1H3,(H2,28,32)(H,30,33,35)/t15-,16+/m1/s1
InChIKeySRVCAPMDNIWQPR-CVEARBPZSA-N
XLogP2.30
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity798

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 156477451) is trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CN1C=C(C=N1)[C@H]2C[C@@H]2C(=O)NC3=CC4=CC(=NC(=C4C=N3)N)C5=C(C=C(C=C5F)C6=NC=CO6)F.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is SRVCAPMDNIWQPR-CVEARBPZSA-N. The full InChI is InChI=1S/C25H19F2N7O2/c1-34-11-14(9-31-34)15-8-16(15)24(35)33-21-7-12-6-20(32-23(28)17(12)10-30-21)22-18(26)4-13(5-19(22)27)25-29-2-3-36-25/h2-7,9-11,15-16H,8H2,1H3,(H2,28,32)(H,30,33,35)/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-[2,6-difluoro-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 156477451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).