(1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C24H31FN6O — CID 166627570

IUPAC(1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCC(C)Nc1cc(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c(F)cn1
InChIInChI=1S/C24H31FN6O/c1-15(2)28-22-12-20(18(25)14-27-22)30-23-11-19-16(13-26-23)5-6-21(29-19)24(3,32)17-7-9-31(4)10-8-17/h5-6,11-15,17,32H,7-10H2,1-4H3,(H2,26,27,28,30)/t24-/m1/s1
InChIKeyUZQXPHDZFUAMQS-XMMPIXPASA-N
MW438.55 g/mol
LogP4.28
Rot. Bonds6

About (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 166627570) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID166627570
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name(1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCC(C)Nc1cc(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c(F)cn1
InChIInChI=1S/C24H31FN6O/c1-15(2)28-22-12-20(18(25)14-27-22)30-23-11-19-16(13-26-23)5-6-21(29-19)24(3,32)17-7-9-31(4)10-8-17/h5-6,11-15,17,32H,7-10H2,1-4H3,(H2,26,27,28,30)/t24-/m1/s1
InChIKeyUZQXPHDZFUAMQS-XMMPIXPASA-N
XLogP4.28
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 166627570) is (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CC(C)Nc1cc(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c(F)cn1.
What is the InChIKey of (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is UZQXPHDZFUAMQS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31FN6O/c1-15(2)28-22-12-20(18(25)14-27-22)30-23-11-19-16(13-26-23)5-6-21(29-19)24(3,32)17-7-9-31(4)10-8-17/h5-6,11-15,17,32H,7-10H2,1-4H3,(H2,26,27,28,30)/t24-/m1/s1.
What are the key properties of (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 438.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 166627570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).