N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H23N7O2 — CID 27478842

IUPACN-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ncc3c(N4CCCCCC4)ncnc32)no1
InChIInChI=1S/C18H23N7O2/c1-13-10-15(23-27-13)18(26)19-6-9-25-17-14(11-22-25)16(20-12-21-17)24-7-4-2-3-5-8-24/h10-12H,2-9H2,1H3,(H,19,26)
InChIKeyWPRHEGXWKIABNM-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.93
Rot. Bonds5

About N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 27478842) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID27478842
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ncc3c(N4CCCCCC4)ncnc32)no1
InChIInChI=1S/C18H23N7O2/c1-13-10-15(23-27-13)18(26)19-6-9-25-17-14(11-22-25)16(20-12-21-17)24-7-4-2-3-5-8-24/h10-12H,2-9H2,1H3,(H,19,26)
InChIKeyWPRHEGXWKIABNM-UHFFFAOYSA-N
XLogP1.93
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 27478842) is N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCn2ncc3c(N4CCCCCC4)ncnc32)no1.
What is the InChIKey of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WPRHEGXWKIABNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-13-10-15(23-27-13)18(26)19-6-9-25-17-14(11-22-25)16(20-12-21-17)24-7-4-2-3-5-8-24/h10-12H,2-9H2,1H3,(H,19,26).
What are the key properties of N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 27478842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).