[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol

C27H36N6O3 — CID 118869228

IUPAC[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
SMILESC[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H36N6O3/c1-19-18-35-15-13-32(19)24-16-23(31-11-7-20(17-34)8-12-31)21-5-9-28-27(26(21)30-24)22-6-10-29-33(22)25-4-2-3-14-36-25/h5-6,9-10,16,19-20,25,34H,2-4,7-8,11-15,17-18H2,1H3/t19-,25?/m1/s1
InChIKeyFUODIBSZMFBXNC-OEPVSBQMSA-N
MW492.62 g/mol
LogP3.63
Rot. Bonds5

About [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol

[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol (PubChem CID 118869228) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
PubChem CID118869228
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
SMILESC[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H36N6O3/c1-19-18-35-15-13-32(19)24-16-23(31-11-7-20(17-34)8-12-31)21-5-9-28-27(26(21)30-24)22-6-10-29-33(22)25-4-2-3-14-36-25/h5-6,9-10,16,19-20,25,34H,2-4,7-8,11-15,17-18H2,1H3/t19-,25?/m1/s1
InChIKeyFUODIBSZMFBXNC-OEPVSBQMSA-N
XLogP3.63
TPSA88.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol (CID 118869228) is [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol is C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The InChIKey is FUODIBSZMFBXNC-OEPVSBQMSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-19-18-35-15-13-32(19)24-16-23(31-11-7-20(17-34)8-12-31)21-5-9-28-27(26(21)30-24)22-6-10-29-33(22)25-4-2-3-14-36-25/h5-6,9-10,16,19-20,25,34H,2-4,7-8,11-15,17-18H2,1H3/t19-,25?/m1/s1.
What are the key properties of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol has a molecular weight of 492.62 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 118869228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).