1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea

C20H23N7O — CID 130437449

IUPAC1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea
SMILESCc1c(-c2ccc(N)c(N(C(=O)Nc3ccccn3)C3CCC3)n2)cnn1C
InChIInChI=1S/C20H23N7O/c1-13-15(12-23-26(13)2)17-10-9-16(21)19(24-17)27(14-6-5-7-14)20(28)25-18-8-3-4-11-22-18/h3-4,8-12,14H,5-7,21H2,1-2H3,(H,22,25,28)
InChIKeySQRIFAVIJQVMKH-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.36
Rot. Bonds4

About 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea

1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea (PubChem CID 130437449) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea
PubChem CID130437449
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea
SMILESCc1c(-c2ccc(N)c(N(C(=O)Nc3ccccn3)C3CCC3)n2)cnn1C
InChIInChI=1S/C20H23N7O/c1-13-15(12-23-26(13)2)17-10-9-16(21)19(24-17)27(14-6-5-7-14)20(28)25-18-8-3-4-11-22-18/h3-4,8-12,14H,5-7,21H2,1-2H3,(H,22,25,28)
InChIKeySQRIFAVIJQVMKH-UHFFFAOYSA-N
XLogP3.36
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea with MolForge

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Related Compounds

1-[3-amino-6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-1-cyclobutyl-3-pyrazin-2-ylurea
CID 130437526
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093998
1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 86816886
2-(1,5-dimethylpyrazol-4-yl)aniline
CID 66096169
(4R)-4-[(4-aminopyrimidin-2-yl)methyl-methylamino]-N-pyridin-2-ylazepane-1-carboxamide
CID 129343516
1-methyl-N-pyridin-2-ylindazole-6-carboxamide
CID 110475569
6-cyclopropyl-1-propan-2-yl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35034977
cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine
CID 143575181
6-[5-(1-fluoroethyl)-3-pyridinyl]-2-N-methyl-2-N-[1-(pyridin-2-ylamino)ethenyl]pyridine-2,3-diamine
CID 137401549
N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea?
The IUPAC name of 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea (CID 130437449) is 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea?
The canonical SMILES for 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea is Cc1c(-c2ccc(N)c(N(C(=O)Nc3ccccn3)C3CCC3)n2)cnn1C.
What is the InChIKey of 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea?
The InChIKey is SQRIFAVIJQVMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-15(12-23-26(13)2)17-10-9-16(21)19(24-17)27(14-6-5-7-14)20(28)25-18-8-3-4-11-22-18/h3-4,8-12,14H,5-7,21H2,1-2H3,(H,22,25,28).
What are the key properties of 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea?
1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea has a molecular weight of 377.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea is sourced from PubChem (CID 130437449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).