2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19ClFN7O2 — CID 90448353

IUPAC2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(CF)nc2c1C(=O)Nc1cncc(Cl)c1OC1CCNCC1
InChIInChI=1S/C18H19ClFN7O2/c19-12-8-23-9-13(15(12)29-11-1-4-22-5-2-11)25-18(28)14-16(21)26-27-6-3-10(7-20)24-17(14)27/h3,6,8-9,11,22H,1-2,4-5,7H2,(H2,21,26)(H,25,28)
InChIKeyGHMRDUXILKSSQE-UHFFFAOYSA-N
MW419.85 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90448353) has the molecular formula C18H19ClFN7O2 and a molecular weight of 419.85 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90448353
Molecular FormulaC18H19ClFN7O2
Molecular Weight419.85 g/mol
Exact Mass419.13
IUPAC Name2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(CF)nc2c1C(=O)Nc1cncc(Cl)c1OC1CCNCC1
InChIInChI=1S/C18H19ClFN7O2/c19-12-8-23-9-13(15(12)29-11-1-4-22-5-2-11)25-18(28)14-16(21)26-27-6-3-10(7-20)24-17(14)27/h3,6,8-9,11,22H,1-2,4-5,7H2,(H2,21,26)(H,25,28)
InChIKeyGHMRDUXILKSSQE-UHFFFAOYSA-N
XLogP2.21
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90448353) is 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(CF)nc2c1C(=O)Nc1cncc(Cl)c1OC1CCNCC1.
What is the InChIKey of 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GHMRDUXILKSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN7O2/c19-12-8-23-9-13(15(12)29-11-1-4-22-5-2-11)25-18(28)14-16(21)26-27-6-3-10(7-20)24-17(14)27/h3,6,8-9,11,22H,1-2,4-5,7H2,(H2,21,26)(H,25,28).
What are the key properties of 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.85 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90448353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).