2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid

C18H23N7O2 — CID 91485857

IUPAC2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid
SMILESCc1c(N2CCC(CC(=O)O)CC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C18H23N7O2/c1-11-16(19)25-18(14(9-21-25)13-8-20-23(2)10-13)22-17(11)24-5-3-12(4-6-24)7-15(26)27/h8-10,12H,3-7,19H2,1-2H3,(H,26,27)
InChIKeyJEZFKFPINCAKHD-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid

2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid (PubChem CID 91485857) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid
PubChem CID91485857
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid
SMILESCc1c(N2CCC(CC(=O)O)CC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C18H23N7O2/c1-11-16(19)25-18(14(9-21-25)13-8-20-23(2)10-13)22-17(11)24-5-3-12(4-6-24)7-15(26)27/h8-10,12H,3-7,19H2,1-2H3,(H,26,27)
InChIKeyJEZFKFPINCAKHD-UHFFFAOYSA-N
XLogP1.71
TPSA114.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid (CID 91485857) is 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid is Cc1c(N2CCC(CC(=O)O)CC2)nc2c(-c3cnn(C)c3)cnn2c1N.
What is the InChIKey of 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid?
The InChIKey is JEZFKFPINCAKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11-16(19)25-18(14(9-21-25)13-8-20-23(2)10-13)22-17(11)24-5-3-12(4-6-24)7-15(26)27/h8-10,12H,3-7,19H2,1-2H3,(H,26,27).
What are the key properties of 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid?
2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid has a molecular weight of 369.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-amino-6-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 91485857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).