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

C18H17ClF3N7O2 — CID 90448355

IUPAC2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cncc(Cl)c1OC1CCNCC1
InChIInChI=1S/C18H17ClF3N7O2/c19-10-7-25-8-11(14(10)31-9-1-4-24-5-2-9)26-17(30)13-15(23)28-29-6-3-12(18(20,21)22)27-16(13)29/h3,6-9,24H,1-2,4-5H2,(H2,23,28)(H,26,30)
InChIKeyKOHCFMFASMPIIL-UHFFFAOYSA-N
MW455.83 g/mol
LogP2.76
Rot. Bonds4

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

2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90448355) has the molecular formula C18H17ClF3N7O2 and a molecular weight of 455.83 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90448355
Molecular FormulaC18H17ClF3N7O2
Molecular Weight455.83 g/mol
Exact Mass455.11
IUPAC Name2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cncc(Cl)c1OC1CCNCC1
InChIInChI=1S/C18H17ClF3N7O2/c19-10-7-25-8-11(14(10)31-9-1-4-24-5-2-9)26-17(30)13-15(23)28-29-6-3-12(18(20,21)22)27-16(13)29/h3,6-9,24H,1-2,4-5H2,(H2,23,28)(H,26,30)
InChIKeyKOHCFMFASMPIIL-UHFFFAOYSA-N
XLogP2.76
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.83
LogP ≤ 52.76
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-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90448355) is 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)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-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cncc(Cl)c1OC1CCNCC1.
What is the InChIKey of 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KOHCFMFASMPIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N7O2/c19-10-7-25-8-11(14(10)31-9-1-4-24-5-2-9)26-17(30)13-15(23)28-29-6-3-12(18(20,21)22)27-16(13)29/h3,6-9,24H,1-2,4-5H2,(H2,23,28)(H,26,30).
What are the key properties of 2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(5-chloro-4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.83 g/mol, XLogP of 2.76, 4 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-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90448355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).