N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C26H25F2N5O3 — CID 177187147

IUPACN-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCN1CCC[C@](O)(c2ccc3oc(-c4cnc(C(F)F)c5cnc(NC(=O)C6CC6)cc45)nc3c2)C1
InChIInChI=1S/C26H25F2N5O3/c1-33-8-2-7-26(35,13-33)15-5-6-20-19(9-15)31-25(36-20)18-12-30-22(23(27)28)17-11-29-21(10-16(17)18)32-24(34)14-3-4-14/h5-6,9-12,14,23,35H,2-4,7-8,13H2,1H3,(H,29,32,34)/t26-/m1/s1
InChIKeyYRCUHWPKSJFDTI-AREMUKBSSA-N
MW493.51 g/mol
LogP4.64
Rot. Bonds5

About N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177187147) has the molecular formula C26H25F2N5O3 and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID177187147
Molecular FormulaC26H25F2N5O3
Molecular Weight493.51 g/mol
Exact Mass493.19
IUPAC NameN-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCN1CCC[C@](O)(c2ccc3oc(-c4cnc(C(F)F)c5cnc(NC(=O)C6CC6)cc45)nc3c2)C1
InChIInChI=1S/C26H25F2N5O3/c1-33-8-2-7-26(35,13-33)15-5-6-20-19(9-15)31-25(36-20)18-12-30-22(23(27)28)17-11-29-21(10-16(17)18)32-24(34)14-3-4-14/h5-6,9-12,14,23,35H,2-4,7-8,13H2,1H3,(H,29,32,34)/t26-/m1/s1
InChIKeyYRCUHWPKSJFDTI-AREMUKBSSA-N
XLogP4.64
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177187147) is N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CN1CCC[C@](O)(c2ccc3oc(-c4cnc(C(F)F)c5cnc(NC(=O)C6CC6)cc45)nc3c2)C1.
What is the InChIKey of N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is YRCUHWPKSJFDTI-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25F2N5O3/c1-33-8-2-7-26(35,13-33)15-5-6-20-19(9-15)31-25(36-20)18-12-30-22(23(27)28)17-11-29-21(10-16(17)18)32-24(34)14-3-4-14/h5-6,9-12,14,23,35H,2-4,7-8,13H2,1H3,(H,29,32,34)/t26-/m1/s1.
What are the key properties of N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 493.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177187147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).