(1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

C24H23F2N5O2 — CID 174212289

IUPAC(1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCc1cn2c(n1)c(-c1cnc(CCCO)cc1C)cc1cnc(NC(=O)[C@H]3CC3(F)F)cc12
InChIInChI=1S/C24H23F2N5O2/c1-13-6-16(4-3-5-32)27-11-18(13)17-7-15-10-28-21(30-23(33)19-9-24(19,25)26)8-20(15)31-12-14(2)29-22(17)31/h6-8,10-12,19,32H,3-5,9H2,1-2H3,(H,28,30,33)/t19-/m1/s1
InChIKeyZMFXBXKBEDZJOS-LJQANCHMSA-N
MW451.48 g/mol
LogP4.08
Rot. Bonds6

About (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (PubChem CID 174212289) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
PubChem CID174212289
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name(1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCc1cn2c(n1)c(-c1cnc(CCCO)cc1C)cc1cnc(NC(=O)[C@H]3CC3(F)F)cc12
InChIInChI=1S/C24H23F2N5O2/c1-13-6-16(4-3-5-32)27-11-18(13)17-7-15-10-28-21(30-23(33)19-9-24(19,25)26)8-20(15)31-12-14(2)29-22(17)31/h6-8,10-12,19,32H,3-5,9H2,1-2H3,(H,28,30,33)/t19-/m1/s1
InChIKeyZMFXBXKBEDZJOS-LJQANCHMSA-N
XLogP4.08
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (CID 174212289) is (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is Cc1cn2c(n1)c(-c1cnc(CCCO)cc1C)cc1cnc(NC(=O)[C@H]3CC3(F)F)cc12.
What is the InChIKey of (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The InChIKey is ZMFXBXKBEDZJOS-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-13-6-16(4-3-5-32)27-11-18(13)17-7-15-10-28-21(30-23(33)19-9-24(19,25)26)8-20(15)31-12-14(2)29-22(17)31/h6-8,10-12,19,32H,3-5,9H2,1-2H3,(H,28,30,33)/t19-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 174212289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).