1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C34H31F2N7O3 — CID 122667730

IUPAC1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCN1CCN(c2ccc(-c3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c4ccnn4c3)cn2)CC1
InChIInChI=1S/C34H31F2N7O3/c1-41-14-16-42(17-15-41)31-9-2-22(20-37-31)23-18-30(28-10-13-38-43(28)21-23)46-29-8-7-26(19-27(29)36)40-33(45)34(11-12-34)32(44)39-25-5-3-24(35)4-6-25/h2-10,13,18-21H,11-12,14-17H2,1H3,(H,39,44)(H,40,45)
InChIKeyAUFBPVAZTBUCOJ-UHFFFAOYSA-N
MW623.66 g/mol
LogP5.58
Rot. Bonds8

About 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 122667730) has the molecular formula C34H31F2N7O3 and a molecular weight of 623.66 g/mol. Its IUPAC name is 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID122667730
Molecular FormulaC34H31F2N7O3
Molecular Weight623.66 g/mol
Exact Mass623.25
IUPAC Name1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCN1CCN(c2ccc(-c3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c4ccnn4c3)cn2)CC1
InChIInChI=1S/C34H31F2N7O3/c1-41-14-16-42(17-15-41)31-9-2-22(20-37-31)23-18-30(28-10-13-38-43(28)21-23)46-29-8-7-26(19-27(29)36)40-33(45)34(11-12-34)32(44)39-25-5-3-24(35)4-6-25/h2-10,13,18-21H,11-12,14-17H2,1H3,(H,39,44)(H,40,45)
InChIKeyAUFBPVAZTBUCOJ-UHFFFAOYSA-N
XLogP5.58
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.66
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 122667730) is 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CN1CCN(c2ccc(-c3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c4ccnn4c3)cn2)CC1.
What is the InChIKey of 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is AUFBPVAZTBUCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N7O3/c1-41-14-16-42(17-15-41)31-9-2-22(20-37-31)23-18-30(28-10-13-38-43(28)21-23)46-29-8-7-26(19-27(29)36)40-33(45)34(11-12-34)32(44)39-25-5-3-24(35)4-6-25/h2-10,13,18-21H,11-12,14-17H2,1H3,(H,39,44)(H,40,45).
What are the key properties of 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 623.66 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[3-fluoro-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 122667730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).