4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide

C24H24FN7O3 — CID 165414850

IUPAC4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1
InChIInChI=1S/C24H24FN7O3/c1-30-21(18(14-26-30)23(34)31-9-4-10-31)22(33)28-20-7-11-32-15-19(27-24(32)29-20)16-5-2-6-17(13-16)35-12-3-8-25/h2,5-7,11,13-15H,3-4,8-10,12H2,1H3,(H,27,28,29,33)
InChIKeyIPJYGCGFFUMMMP-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.97
Rot. Bonds8

About 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414850) has the molecular formula C24H24FN7O3 and a molecular weight of 477.50 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414850
Molecular FormulaC24H24FN7O3
Molecular Weight477.50 g/mol
Exact Mass477.19
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1
InChIInChI=1S/C24H24FN7O3/c1-30-21(18(14-26-30)23(34)31-9-4-10-31)22(33)28-20-7-11-32-15-19(27-24(32)29-20)16-5-2-6-17(13-16)35-12-3-8-25/h2,5-7,11,13-15H,3-4,8-10,12H2,1H3,(H,27,28,29,33)
InChIKeyIPJYGCGFFUMMMP-UHFFFAOYSA-N
XLogP2.97
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.97
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 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414850) is 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IPJYGCGFFUMMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O3/c1-30-21(18(14-26-30)23(34)31-9-4-10-31)22(33)28-20-7-11-32-15-19(27-24(32)29-20)16-5-2-6-17(13-16)35-12-3-8-25/h2,5-7,11,13-15H,3-4,8-10,12H2,1H3,(H,27,28,29,33).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).