(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine

C14H15ClN6O — CID 155454721

IUPAC(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(Cl)c2cnc(-c3ccn[nH]3)n2n1
InChIInChI=1S/C14H15ClN6O/c1-9-8-22-5-4-20(9)13-6-10(15)12-7-16-14(21(12)19-13)11-2-3-17-18-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyDNXJYYCYRTTYNN-SECBINFHSA-N
MW318.77 g/mol
LogP2.00
Rot. Bonds2

About (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine

(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (PubChem CID 155454721) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
PubChem CID155454721
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(Cl)c2cnc(-c3ccn[nH]3)n2n1
InChIInChI=1S/C14H15ClN6O/c1-9-8-22-5-4-20(9)13-6-10(15)12-7-16-14(21(12)19-13)11-2-3-17-18-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyDNXJYYCYRTTYNN-SECBINFHSA-N
XLogP2.00
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
CID 163283575
4-[8-cyclohexyl-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine
CID 155454521
(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169096561
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
4-[4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
CID 155439019
(3R)-4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 130228884
4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230353
3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 130245734
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine (CID 155454721) is (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(Cl)c2cnc(-c3ccn[nH]3)n2n1.
What is the InChIKey of (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
The InChIKey is DNXJYYCYRTTYNN-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-9-8-22-5-4-20(9)13-6-10(15)12-7-16-14(21(12)19-13)11-2-3-17-18-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine?
(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine has a molecular weight of 318.77 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 155454721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).