1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea

C22H21N7O2 — CID 174705884

IUPAC1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(-c2cc(C3CNCCO3)c3nccn3n2)cc1)Nc1cccnc1
InChIInChI=1S/C22H21N7O2/c30-22(27-17-2-1-7-23-13-17)26-16-5-3-15(4-6-16)19-12-18(20-14-24-9-11-31-20)21-25-8-10-29(21)28-19/h1-8,10,12-13,20,24H,9,11,14H2,(H2,26,27,30)
InChIKeyLRYWXZJNDJUGEE-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea

1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea (PubChem CID 174705884) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea
PubChem CID174705884
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(-c2cc(C3CNCCO3)c3nccn3n2)cc1)Nc1cccnc1
InChIInChI=1S/C22H21N7O2/c30-22(27-17-2-1-7-23-13-17)26-16-5-3-15(4-6-16)19-12-18(20-14-24-9-11-31-20)21-25-8-10-29(21)28-19/h1-8,10,12-13,20,24H,9,11,14H2,(H2,26,27,30)
InChIKeyLRYWXZJNDJUGEE-UHFFFAOYSA-N
XLogP3.10
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

1-[4-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylthiourea
CID 73054495
1-[4-[4-morpholin-2-yl-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]phenyl]-3-pyridin-3-ylurea
CID 175473253
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-cyano-2-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-3-ylguanidine
CID 73055058
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68968261
N-[4-[6-(4-morpholin-2-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 175329846
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
1-(2-bromo-4-morpholin-2-ylphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 71086833

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea (CID 174705884) is 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea is O=C(Nc1ccc(-c2cc(C3CNCCO3)c3nccn3n2)cc1)Nc1cccnc1.
What is the InChIKey of 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
The InChIKey is LRYWXZJNDJUGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-22(27-17-2-1-7-23-13-17)26-16-5-3-15(4-6-16)19-12-18(20-14-24-9-11-31-20)21-25-8-10-29(21)28-19/h1-8,10,12-13,20,24H,9,11,14H2,(H2,26,27,30).
What are the key properties of 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea?
1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea has a molecular weight of 415.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-morpholin-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 174705884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).