(3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

C26H27ClN6O2 — CID 118869661

IUPAC(3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cncc(Cl)c2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C26H27ClN6O2/c1-17-16-34-11-9-32(17)23-13-21(18-12-19(27)15-28-14-18)20-5-7-29-26(25(20)31-23)22-6-8-30-33(22)24-4-2-3-10-35-24/h5-8,12-15,17,24H,2-4,9-11,16H2,1H3/t17-,24?/m1/s1
InChIKeyNZFZYVIVNQRPSW-BPNWFJGMSA-N
MW491.00 g/mol
LogP5.13
Rot. Bonds4

About (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869661) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869661
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name(3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cncc(Cl)c2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C26H27ClN6O2/c1-17-16-34-11-9-32(17)23-13-21(18-12-19(27)15-28-14-18)20-5-7-29-26(25(20)31-23)22-6-8-30-33(22)24-4-2-3-10-35-24/h5-8,12-15,17,24H,2-4,9-11,16H2,1H3/t17-,24?/m1/s1
InChIKeyNZFZYVIVNQRPSW-BPNWFJGMSA-N
XLogP5.13
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.00
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869661) is (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cncc(Cl)c2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is NZFZYVIVNQRPSW-BPNWFJGMSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-17-16-34-11-9-32(17)23-13-21(18-12-19(27)15-28-14-18)20-5-7-29-26(25(20)31-23)22-6-8-30-33(22)24-4-2-3-10-35-24/h5-8,12-15,17,24H,2-4,9-11,16H2,1H3/t17-,24?/m1/s1.
What are the key properties of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 491.00 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(5-chloro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).