(3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine

C22H25ClN6O2 — CID 135121231

IUPAC(3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1nccc(-c2cc(N3CCOC[C@H]3C)nc3c(C4CCNN4)nccc23)c1Cl
InChIInChI=1S/C22H25ClN6O2/c1-13-12-31-10-9-29(13)18-11-16(14-3-7-25-22(30-2)19(14)23)15-4-6-24-21(20(15)27-18)17-5-8-26-28-17/h3-4,6-7,11,13,17,26,28H,5,8-10,12H2,1-2H3/t13-,17?/m1/s1
InChIKeyVCZLCGVKJSCTOP-FWJOYPJLSA-N
MW440.94 g/mol
LogP3.12
Rot. Bonds4

About (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 135121231) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID135121231
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name(3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1nccc(-c2cc(N3CCOC[C@H]3C)nc3c(C4CCNN4)nccc23)c1Cl
InChIInChI=1S/C22H25ClN6O2/c1-13-12-31-10-9-29(13)18-11-16(14-3-7-25-22(30-2)19(14)23)15-4-6-24-21(20(15)27-18)17-5-8-26-28-17/h3-4,6-7,11,13,17,26,28H,5,8-10,12H2,1-2H3/t13-,17?/m1/s1
InChIKeyVCZLCGVKJSCTOP-FWJOYPJLSA-N
XLogP3.12
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 135121221
(3R)-3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine
CID 155903547
(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 155903537
4-[4-(5-methoxy-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine
CID 135121286
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451
4-(8-pyrazolidin-3-yl-4-quinolin-3-yl-1,7-naphthyridin-2-yl)morpholine
CID 135121287
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3R)-3-methyl-4-[4-[1-(oxan-4-yl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869465
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446335

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 135121231) is (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is COc1nccc(-c2cc(N3CCOC[C@H]3C)nc3c(C4CCNN4)nccc23)c1Cl.
What is the InChIKey of (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is VCZLCGVKJSCTOP-FWJOYPJLSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-13-12-31-10-9-29(13)18-11-16(14-3-7-25-22(30-2)19(14)23)15-4-6-24-21(20(15)27-18)17-5-8-26-28-17/h3-4,6-7,11,13,17,26,28H,5,8-10,12H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 440.94 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 135121231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).