5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C23H25F2N7OS — CID 90279545

IUPAC5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CCCN2
InChIInChI=1S/C23H25F2N7OS/c24-14-6-1-7-15(25)17(14)23-31-18(20(27)34-23)22(33)30-16-10-29-21-13(5-2-8-28-21)19(16)32-9-3-4-12(26)11-32/h1,6-7,10,12H,2-5,8-9,11,26-27H2,(H,28,29)(H,30,33)/t12-/m0/s1
InChIKeyHCJGVVIWCFDORS-LBPRGKRZSA-N
MW485.56 g/mol
LogP3.60
Rot. Bonds4

About 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 90279545) has the molecular formula C23H25F2N7OS and a molecular weight of 485.56 g/mol. Its IUPAC name is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID90279545
Molecular FormulaC23H25F2N7OS
Molecular Weight485.56 g/mol
Exact Mass485.18
IUPAC Name5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CCCN2
InChIInChI=1S/C23H25F2N7OS/c24-14-6-1-7-15(25)17(14)23-31-18(20(27)34-23)22(33)30-16-10-29-21-13(5-2-8-28-21)19(16)32-9-3-4-12(26)11-32/h1,6-7,10,12H,2-5,8-9,11,26-27H2,(H,28,29)(H,30,33)/t12-/m0/s1
InChIKeyHCJGVVIWCFDORS-LBPRGKRZSA-N
XLogP3.60
TPSA122.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 90279545) is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CCCN2.
What is the InChIKey of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HCJGVVIWCFDORS-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H25F2N7OS/c24-14-6-1-7-15(25)17(14)23-31-18(20(27)34-23)22(33)30-16-10-29-21-13(5-2-8-28-21)19(16)32-9-3-4-12(26)11-32/h1,6-7,10,12H,2-5,8-9,11,26-27H2,(H,28,29)(H,30,33)/t12-/m0/s1.
What are the key properties of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 3.60, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90279545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).