1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea

C19H24N6OS — CID 52501381

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
SMILESCc1nn(C)c2ncc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)cc12
InChIInChI=1S/C19H24N6OS/c1-13-15-10-14(11-20-18(15)24(2)23-13)22-19(26)21-12-16(17-6-5-9-27-17)25-7-3-4-8-25/h5-6,9-11,16H,3-4,7-8,12H2,1-2H3,(H2,21,22,26)/t16-/m0/s1
InChIKeyKMQNQUYAAVPBDU-INIZCTEOSA-N
MW384.51 g/mol
LogP3.30
Rot. Bonds5

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea (PubChem CID 52501381) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
PubChem CID52501381
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
SMILESCc1nn(C)c2ncc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)cc12
InChIInChI=1S/C19H24N6OS/c1-13-15-10-14(11-20-18(15)24(2)23-13)22-19(26)21-12-16(17-6-5-9-27-17)25-7-3-4-8-25/h5-6,9-11,16H,3-4,7-8,12H2,1-2H3,(H2,21,22,26)/t16-/m0/s1
InChIKeyKMQNQUYAAVPBDU-INIZCTEOSA-N
XLogP3.30
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 51082037
methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-3-thiophen-2-ylpropanoate
CID 51116481
1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040363
1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 55696370
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473744
1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 42951356
1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 43004993
1-(4-nitrophenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 42912300
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857890
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
CID 146124549
5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 47007671
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea (CID 52501381) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea is Cc1nn(C)c2ncc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)cc12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea?
The InChIKey is KMQNQUYAAVPBDU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-13-15-10-14(11-20-18(15)24(2)23-13)22-19(26)21-12-16(17-6-5-9-27-17)25-7-3-4-8-25/h5-6,9-11,16H,3-4,7-8,12H2,1-2H3,(H2,21,22,26)/t16-/m0/s1.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea has a molecular weight of 384.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 52501381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).