N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide

C29H25FN10O2 — CID 170628291

IUPACN-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(c2ccnc(C#CCNC(=O)c3cnn4cccc(F)c34)n2)CC1
InChIInChI=1S/C29H25FN10O2/c30-21-6-4-12-40-27(21)20(18-34-40)29(42)33-10-3-8-25-32-11-9-26(35-25)39-15-13-38(14-16-39)23-17-22(36-37-28(23)31)19-5-1-2-7-24(19)41/h1-2,4-7,9,11-12,17-18,41H,10,13-16H2,(H2,31,37)(H,33,42)
InChIKeyZEWSBKOZNZQCJL-UHFFFAOYSA-N
MW564.59 g/mol
LogP2.12
Rot. Bonds5

About N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide

N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170628291) has the molecular formula C29H25FN10O2 and a molecular weight of 564.59 g/mol. Its IUPAC name is N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170628291
Molecular FormulaC29H25FN10O2
Molecular Weight564.59 g/mol
Exact Mass564.21
IUPAC NameN-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(c2ccnc(C#CCNC(=O)c3cnn4cccc(F)c34)n2)CC1
InChIInChI=1S/C29H25FN10O2/c30-21-6-4-12-40-27(21)20(18-34-40)29(42)33-10-3-8-25-32-11-9-26(35-25)39-15-13-38(14-16-39)23-17-22(36-37-28(23)31)19-5-1-2-7-24(19)41/h1-2,4-7,9,11-12,17-18,41H,10,13-16H2,(H2,31,37)(H,33,42)
InChIKeyZEWSBKOZNZQCJL-UHFFFAOYSA-N
XLogP2.12
TPSA150.69 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.59
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58009079
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methyl-1,2-oxazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032884
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methyl-1,2-oxazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032887
US11440913, Example 354
CID 142580782
US20250163077, Example 35
CID 175942106
US10336761, Example 185
CID 135262329
US10308614, Example 137
CID 137291354
N-(2-{1-[(2-hydroxyphenyl)methyl]piperidin-4-yl}ethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162370371
1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[2-(2-hydroxyphenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]ethane-1,2-dione
CID 135939635
US11618753, Example 1728
CID 139349096
US12473304, Example 314
CID 156829056
US12473304, Example 282
CID 156829295

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide (CID 170628291) is N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide is Nc1nnc(-c2ccccc2O)cc1N1CCN(c2ccnc(C#CCNC(=O)c3cnn4cccc(F)c34)n2)CC1.
What is the InChIKey of N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZEWSBKOZNZQCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN10O2/c30-21-6-4-12-40-27(21)20(18-34-40)29(42)33-10-3-8-25-32-11-9-26(35-25)39-15-13-38(14-16-39)23-17-22(36-37-28(23)31)19-5-1-2-7-24(19)41/h1-2,4-7,9,11-12,17-18,41H,10,13-16H2,(H2,31,37)(H,33,42).
What are the key properties of N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 564.59 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170628291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).