1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea

C19H20N6OS — CID 122354873

IUPAC1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)Nc1cccs1
InChIInChI=1S/C19H20N6OS/c26-19(23-18-4-3-11-27-18)22-15-7-5-14(6-8-15)21-17-12-16(13-20-24-17)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10H2,(H,21,24)(H2,22,23,26)
InChIKeyYHDPBMHOWXOHCW-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.53
Rot. Bonds5

About 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea

1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea (PubChem CID 122354873) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
PubChem CID122354873
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)Nc1cccs1
InChIInChI=1S/C19H20N6OS/c26-19(23-18-4-3-11-27-18)22-15-7-5-14(6-8-15)21-17-12-16(13-20-24-17)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10H2,(H,21,24)(H2,22,23,26)
InChIKeyYHDPBMHOWXOHCW-UHFFFAOYSA-N
XLogP4.53
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
CID 108889200
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide
CID 122354646
2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354511
2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122354566
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
1-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-3-thiophen-2-ylurea
CID 122297869
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122354695
2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122354678
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea (CID 122354873) is 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea is O=C(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)Nc1cccs1.
What is the InChIKey of 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea?
The InChIKey is YHDPBMHOWXOHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c26-19(23-18-4-3-11-27-18)22-15-7-5-14(6-8-15)21-17-12-16(13-20-24-17)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10H2,(H,21,24)(H2,22,23,26).
What are the key properties of 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea?
1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea has a molecular weight of 380.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 122354873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).