1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea

C19H26N6O2 — CID 75475619

IUPAC1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
SMILESCOCc1cc(NC(=O)NC2CCCc3cn(C4CCCC4)nc32)ncn1
InChIInChI=1S/C19H26N6O2/c1-27-11-14-9-17(21-12-20-14)23-19(26)22-16-8-4-5-13-10-25(24-18(13)16)15-6-2-3-7-15/h9-10,12,15-16H,2-8,11H2,1H3,(H2,20,21,22,23,26)
InChIKeyUNGVFCQHFNNEDN-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea

1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea (PubChem CID 75475619) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
PubChem CID75475619
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
SMILESCOCc1cc(NC(=O)NC2CCCc3cn(C4CCCC4)nc32)ncn1
InChIInChI=1S/C19H26N6O2/c1-27-11-14-9-17(21-12-20-14)23-19(26)22-16-8-4-5-13-10-25(24-18(13)16)15-6-2-3-7-15/h9-10,12,15-16H,2-8,11H2,1H3,(H2,20,21,22,23,26)
InChIKeyUNGVFCQHFNNEDN-UHFFFAOYSA-N
XLogP3.13
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
The IUPAC name of 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea (CID 75475619) is 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea is COCc1cc(NC(=O)NC2CCCc3cn(C4CCCC4)nc32)ncn1.
What is the InChIKey of 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
The InChIKey is UNGVFCQHFNNEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-27-11-14-9-17(21-12-20-14)23-19(26)22-16-8-4-5-13-10-25(24-18(13)16)15-6-2-3-7-15/h9-10,12,15-16H,2-8,11H2,1H3,(H2,20,21,22,23,26).
What are the key properties of 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea has a molecular weight of 370.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea is sourced from PubChem (CID 75475619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).