5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22FN5O2 — CID 155324156

IUPAC5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(C)(CNC(=O)c1cnn2ccc(NC3=C(F)C=C3)nc12)OC
InChIInChI=1S/C18H22FN5O2/c1-4-8-18(2,26-3)11-20-17(25)12-10-21-24-9-7-15(23-16(12)24)22-14-6-5-13(14)19/h5-7,9-10H,4,8,11H2,1-3H3,(H,20,25)(H,22,23)
InChIKeyPVEQKZJEHUTIQH-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.83
Rot. Bonds8

About 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155324156) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155324156
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(C)(CNC(=O)c1cnn2ccc(NC3=C(F)C=C3)nc12)OC
InChIInChI=1S/C18H22FN5O2/c1-4-8-18(2,26-3)11-20-17(25)12-10-21-24-9-7-15(23-16(12)24)22-14-6-5-13(14)19/h5-7,9-10H,4,8,11H2,1-3H3,(H,20,25)(H,22,23)
InChIKeyPVEQKZJEHUTIQH-UHFFFAOYSA-N
XLogP2.83
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155324156) is 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCC(C)(CNC(=O)c1cnn2ccc(NC3=C(F)C=C3)nc12)OC.
What is the InChIKey of 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PVEQKZJEHUTIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-4-8-18(2,26-3)11-20-17(25)12-10-21-24-9-7-15(23-16(12)24)22-14-6-5-13(14)19/h5-7,9-10H,4,8,11H2,1-3H3,(H,20,25)(H,22,23).
What are the key properties of 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorocyclobuta-1,3-dien-1-yl)amino]-N-(2-methoxy-2-methylpentyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155324156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).