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

C27H29FN6O2 — CID 170688153

IUPAC(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)ncc(F)c12
InChIInChI=1S/C27H29FN6O2/c1-17-16-35-13-11-33(17)23-14-20(19-6-5-9-29-18(19)2)25-21(28)15-30-26(27(25)32-23)22-8-10-31-34(22)24-7-3-4-12-36-24/h5-6,8-10,14-15,17,24H,3-4,7,11-13,16H2,1-2H3/t17-,24?/m1/s1
InChIKeyOHLZCOMCOCIGKQ-BPNWFJGMSA-N
MW488.57 g/mol
LogP4.93
Rot. Bonds4

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

(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 170688153) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is (3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID170688153
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)ncc(F)c12
InChIInChI=1S/C27H29FN6O2/c1-17-16-35-13-11-33(17)23-14-20(19-6-5-9-29-18(19)2)25-21(28)15-30-26(27(25)32-23)22-8-10-31-34(22)24-7-3-4-12-36-24/h5-6,8-10,14-15,17,24H,3-4,7,11-13,16H2,1-2H3/t17-,24?/m1/s1
InChIKeyOHLZCOMCOCIGKQ-BPNWFJGMSA-N
XLogP4.93
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020381
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688179
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020263
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
CID 118869281
(3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118890587
4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
(3R)-4-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118890738
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 170688153) is (3R)-4-[5-fluoro-4-(2-methyl-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-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)ncc(F)c12.
What is the InChIKey of (3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is OHLZCOMCOCIGKQ-BPNWFJGMSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-17-16-35-13-11-33(17)23-14-20(19-6-5-9-29-18(19)2)25-21(28)15-30-26(27(25)32-23)22-8-10-31-34(22)24-7-3-4-12-36-24/h5-6,8-10,14-15,17,24H,3-4,7,11-13,16H2,1-2H3/t17-,24?/m1/s1.
What are the key properties of (3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 488.57 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 170688153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).