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

C19H19ClF3N7O2 — CID 90417605

IUPAC2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2c(Cl)cncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C19H19ClF3N7O2/c1-29-5-2-10(3-6-29)32-15-11(20)8-25-9-12(15)26-18(31)14-16(24)28-30-7-4-13(19(21,22)23)27-17(14)30/h4,7-10H,2-3,5-6H2,1H3,(H2,24,28)(H,26,31)
InChIKeyDGRLBDYNHZNVEQ-UHFFFAOYSA-N
MW469.86 g/mol
LogP3.10
Rot. Bonds4

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

2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90417605) has the molecular formula C19H19ClF3N7O2 and a molecular weight of 469.86 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90417605
Molecular FormulaC19H19ClF3N7O2
Molecular Weight469.86 g/mol
Exact Mass469.12
IUPAC Name2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(Oc2c(Cl)cncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C19H19ClF3N7O2/c1-29-5-2-10(3-6-29)32-15-11(20)8-25-9-12(15)26-18(31)14-16(24)28-30-7-4-13(19(21,22)23)27-17(14)30/h4,7-10H,2-3,5-6H2,1H3,(H2,24,28)(H,26,31)
InChIKeyDGRLBDYNHZNVEQ-UHFFFAOYSA-N
XLogP3.10
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.86
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90417605) is 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(Oc2c(Cl)cncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.
What is the InChIKey of 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DGRLBDYNHZNVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N7O2/c1-29-5-2-10(3-6-29)32-15-11(20)8-25-9-12(15)26-18(31)14-16(24)28-30-7-4-13(19(21,22)23)27-17(14)30/h4,7-10H,2-3,5-6H2,1H3,(H2,24,28)(H,26,31).
What are the key properties of 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.86 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90417605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).