(3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol

C22H21ClN6O — CID 70983922

IUPAC(3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C22H21ClN6O/c23-18-6-2-1-5-17(18)19-8-7-15-12-25-22(29(15)27-19)26-20-13-24-10-9-21(20)28-11-3-4-16(30)14-28/h1-2,5-10,12-13,16,30H,3-4,11,14H2,(H,25,26)/t16-/m1/s1
InChIKeyTXIKPFPISXNHBO-MRXNPFEDSA-N
MW420.90 g/mol
LogP4.15
Rot. Bonds4

About (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol

(3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol (PubChem CID 70983922) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol
PubChem CID70983922
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name(3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C22H21ClN6O/c23-18-6-2-1-5-17(18)19-8-7-15-12-25-22(29(15)27-19)26-20-13-24-10-9-21(20)28-11-3-4-16(30)14-28/h1-2,5-10,12-13,16,30H,3-4,11,14H2,(H,25,26)/t16-/m1/s1
InChIKeyTXIKPFPISXNHBO-MRXNPFEDSA-N
XLogP4.15
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol (CID 70983922) is (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol is O[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4Cl)nn23)C1.
What is the InChIKey of (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
The InChIKey is TXIKPFPISXNHBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21ClN6O/c23-18-6-2-1-5-17(18)19-8-7-15-12-25-22(29(15)27-19)26-20-13-24-10-9-21(20)28-11-3-4-16(30)14-28/h1-2,5-10,12-13,16,30H,3-4,11,14H2,(H,25,26)/t16-/m1/s1.
What are the key properties of (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
(3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol has a molecular weight of 420.90 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 70983922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).