[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone

C27H29N7O2 — CID 71525989

IUPAC[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)N4CCOCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C27H29N7O2/c1-19-5-4-11-33(19)25-9-3-8-24(30-25)29-23-18-22(31-34-12-10-28-26(23)34)20-6-2-7-21(17-20)27(35)32-13-15-36-16-14-32/h2-3,6-10,12,17-19H,4-5,11,13-16H2,1H3,(H,29,30)
InChIKeySHCYNAYQNCBEAU-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.00
Rot. Bonds5

About [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone

[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 71525989) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID71525989
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)N4CCOCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C27H29N7O2/c1-19-5-4-11-33(19)25-9-3-8-24(30-25)29-23-18-22(31-34-12-10-28-26(23)34)20-6-2-7-21(17-20)27(35)32-13-15-36-16-14-32/h2-3,6-10,12,17-19H,4-5,11,13-16H2,1H3,(H,29,30)
InChIKeySHCYNAYQNCBEAU-UHFFFAOYSA-N
XLogP4.00
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 44182308
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CID 51034710
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CID 66603863
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CID 129284334
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CID 134551592
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CID 3113005
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CID 126480563

Frequently Asked Questions

What is the IUPAC name of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 71525989) is [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone is CC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)N4CCOCC4)c3)nn3ccnc23)n1.
What is the InChIKey of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SHCYNAYQNCBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-19-5-4-11-33(19)25-9-3-8-24(30-25)29-23-18-22(31-34-12-10-28-26(23)34)20-6-2-7-21(17-20)27(35)32-13-15-36-16-14-32/h2-3,6-10,12,17-19H,4-5,11,13-16H2,1H3,(H,29,30).
What are the key properties of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 483.58 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71525989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).