5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide

C23H24FN7O3 — CID 165414856

IUPAC5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1
InChIInChI=1S/C23H24FN7O3/c1-29(2)22(33)17-13-25-30(3)20(17)21(32)27-19-8-10-31-14-18(26-23(31)28-19)15-6-4-7-16(12-15)34-11-5-9-24/h4,6-8,10,12-14H,5,9,11H2,1-3H3,(H,26,27,28,32)
InChIKeyKLVFIEMIKFTJCV-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.82
Rot. Bonds8

About 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide

5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide (PubChem CID 165414856) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
PubChem CID165414856
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1
InChIInChI=1S/C23H24FN7O3/c1-29(2)22(33)17-13-25-30(3)20(17)21(32)27-19-8-10-31-14-18(26-23(31)28-19)15-6-4-7-16(12-15)34-11-5-9-24/h4,6-8,10,12-14H,5,9,11H2,1-3H3,(H,26,27,28,32)
InChIKeyKLVFIEMIKFTJCV-UHFFFAOYSA-N
XLogP2.82
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide (CID 165414856) is 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide is CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1.
What is the InChIKey of 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The InChIKey is KLVFIEMIKFTJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-29(2)22(33)17-13-25-30(3)20(17)21(32)27-19-8-10-31-14-18(26-23(31)28-19)15-6-4-7-16(12-15)34-11-5-9-24/h4,6-8,10,12-14H,5,9,11H2,1-3H3,(H,26,27,28,32).
What are the key properties of 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).