(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine

C18H19N7O — CID 118720891

IUPAC(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(-c2nncc3[nH]ccc23)cc2c1ncn2C
InChIInChI=1S/C18H19N7O/c1-11-9-26-6-5-25(11)18-17-15(24(2)10-20-17)7-13(22-18)16-12-3-4-19-14(12)8-21-23-16/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3/t11-/m1/s1
InChIKeyXCOKOJKTXOLUTM-LLVKDONJSA-N
MW349.40 g/mol
LogP2.13
Rot. Bonds2

About (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine

(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 118720891) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
PubChem CID118720891
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(-c2nncc3[nH]ccc23)cc2c1ncn2C
InChIInChI=1S/C18H19N7O/c1-11-9-26-6-5-25(11)18-17-15(24(2)10-20-17)7-13(22-18)16-12-3-4-19-14(12)8-21-23-16/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3/t11-/m1/s1
InChIKeyXCOKOJKTXOLUTM-LLVKDONJSA-N
XLogP2.13
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine (CID 118720891) is (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine is C[C@@H]1COCCN1c1nc(-c2nncc3[nH]ccc23)cc2c1ncn2C.
What is the InChIKey of (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is XCOKOJKTXOLUTM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N7O/c1-11-9-26-6-5-25(11)18-17-15(24(2)10-20-17)7-13(22-18)16-12-3-4-19-14(12)8-21-23-16/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 349.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 118720891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).