(3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C21H23N7O — CID 118869586

IUPAC(3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCn1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cn1
InChIInChI=1S/C21H23N7O/c1-3-27-12-15(11-24-27)17-10-19(28-8-9-29-13-14(28)2)25-20-16(17)4-6-22-21(20)18-5-7-23-26-18/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyDWCAOEVQCBSGAH-CQSZACIVSA-N
MW389.46 g/mol
LogP3.13
Rot. Bonds4

About (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869586) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869586
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name(3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCn1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cn1
InChIInChI=1S/C21H23N7O/c1-3-27-12-15(11-24-27)17-10-19(28-8-9-29-13-14(28)2)25-20-16(17)4-6-22-21(20)18-5-7-23-26-18/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyDWCAOEVQCBSGAH-CQSZACIVSA-N
XLogP3.13
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59473233
CID 59473233
CID 118869362
CID 118869362
CID 124090478
CID 124090478
CID 86278566
CID 86278566
CID 86278567
CID 86278567
CID 90161075
CID 90161075
CID 11568346
CID 11568346
CID 11575452
CID 11575452
CID 11647832
CID 11647832
CID 46887035
CID 46887035
CID 46888560
CID 46888560
CID 46888595
CID 46888595

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869586) is (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is CCn1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cn1.
What is the InChIKey of (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is DWCAOEVQCBSGAH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-27-12-15(11-24-27)17-10-19(28-8-9-29-13-14(28)2)25-20-16(17)4-6-22-21(20)18-5-7-23-26-18/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 389.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(1-ethylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).