N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide

C25H23N5O2 — CID 130294639

IUPACN-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1
InChIInChI=1S/C25H23N5O2/c1-2-23(31)27-19-12-13-30(16-19)22-14-18-15-26-29-25(18)24(28-22)17-8-10-21(11-9-17)32-20-6-4-3-5-7-20/h2-11,14-15,19H,1,12-13,16H2,(H,26,29)(H,27,31)
InChIKeyVNDGUJLEYCJKHQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.30
Rot. Bonds6

About N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide

N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide (PubChem CID 130294639) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide
PubChem CID130294639
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1
InChIInChI=1S/C25H23N5O2/c1-2-23(31)27-19-12-13-30(16-19)22-14-18-15-26-29-25(18)24(28-22)17-8-10-21(11-9-17)32-20-6-4-3-5-7-20/h2-11,14-15,19H,1,12-13,16H2,(H,26,29)(H,27,31)
InChIKeyVNDGUJLEYCJKHQ-UHFFFAOYSA-N
XLogP4.30
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide
CID 174240251
1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 130294635
3-(4-phenoxyphenyl)-4-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]-1H-indole-7-carboxamide
CID 164897531
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
2-tert-butyl-2-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylic acid
CID 175193315
1-[4-[7-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 130294657
N-[4-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;ethane
CID 145119966
N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 138631731
N-[4-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide
CID 118651798
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
N-[3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclopentyl]prop-2-enamide
CID 78080160
2-methyl-6-(4-phenoxyphenoxy)-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]-3H-pyridine-5-carboxamide
CID 153201797

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide (CID 130294639) is N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.
What is the InChIKey of N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is VNDGUJLEYCJKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-2-23(31)27-19-12-13-30(16-19)22-14-18-15-26-29-25(18)24(28-22)17-8-10-21(11-9-17)32-20-6-4-3-5-7-20/h2-11,14-15,19H,1,12-13,16H2,(H,26,29)(H,27,31).
What are the key properties of N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide?
N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 425.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 130294639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).