2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H20ClF3N8O4 — CID 146232798

IUPAC2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cncc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClN8O2.C2HF3O2/c1-12(28-22(32)18-20(24)29-31-5-3-4-27-21(18)31)15-7-16(23)17-10-26-11-30(17)19(15)13-6-14(33-2)9-25-8-13;3-2(4,5)1(6)7/h3-12H,1-2H3,(H2,24,29)(H,28,32);(H,6,7)
InChIKeyFCVYTZLDOQCNSP-UHFFFAOYSA-N
MW576.92 g/mol
LogP3.81
Rot. Bonds5

About 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146232798) has the molecular formula C24H20ClF3N8O4 and a molecular weight of 576.92 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146232798
Molecular FormulaC24H20ClF3N8O4
Molecular Weight576.92 g/mol
Exact Mass576.12
IUPAC Name2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cncc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClN8O2.C2HF3O2/c1-12(28-22(32)18-20(24)29-31-5-3-4-27-21(18)31)15-7-16(23)17-10-26-11-30(17)19(15)13-6-14(33-2)9-25-8-13;3-2(4,5)1(6)7/h3-12H,1-2H3,(H2,24,29)(H,28,32);(H,6,7)
InChIKeyFCVYTZLDOQCNSP-UHFFFAOYSA-N
XLogP3.81
TPSA162.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.92
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 146232798) is 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cncc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FCVYTZLDOQCNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O2.C2HF3O2/c1-12(28-22(32)18-20(24)29-31-5-3-4-27-21(18)31)15-7-16(23)17-10-26-11-30(17)19(15)13-6-14(33-2)9-25-8-13;3-2(4,5)1(6)7/h3-12H,1-2H3,(H2,24,29)(H,28,32);(H,6,7).
What are the key properties of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 576.92 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146232798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).