(E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide

C34H46N8O3 — CID 168934448

IUPAC(E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide
SMILESCC(C)(C)c1cc(Nc2ccc(-c3[nH]nc4c(/C=C/CCCCCCC(=O)N5CCCCC5)cnc(N)c34)cc2)no1.NC=O
InChIInChI=1S/C33H43N7O2.CH3NO/c1-33(2,3)26-21-27(39-42-26)36-25-17-15-23(16-18-25)30-29-31(38-37-30)24(22-35-32(29)34)13-9-6-4-5-7-10-14-28(41)40-19-11-8-12-20-40;2-1-3/h9,13,15-18,21-22H,4-8,10-12,14,19-20H2,1-3H3,(H2,34,35)(H,36,39)(H,37,38);1H,(H2,2,3)/b13-9+;
InChIKeyGMAGTCAMQGIPRF-KJEVSKRMSA-N
MW614.80 g/mol
LogP6.70
Rot. Bonds11

About (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide

(E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide (PubChem CID 168934448) has the molecular formula C34H46N8O3 and a molecular weight of 614.80 g/mol. Its IUPAC name is (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide.

Molecular Properties

Compound Name(E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide
PubChem CID168934448
Molecular FormulaC34H46N8O3
Molecular Weight614.80 g/mol
Exact Mass614.37
IUPAC Name(E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide
SMILESCC(C)(C)c1cc(Nc2ccc(-c3[nH]nc4c(/C=C/CCCCCCC(=O)N5CCCCC5)cnc(N)c34)cc2)no1.NC=O
InChIInChI=1S/C33H43N7O2.CH3NO/c1-33(2,3)26-21-27(39-42-26)36-25-17-15-23(16-18-25)30-29-31(38-37-30)24(22-35-32(29)34)13-9-6-4-5-7-10-14-28(41)40-19-11-8-12-20-40;2-1-3/h9,13,15-18,21-22H,4-8,10-12,14,19-20H2,1-3H3,(H2,34,35)(H,36,39)(H,37,38);1H,(H2,2,3)/b13-9+;
InChIKeyGMAGTCAMQGIPRF-KJEVSKRMSA-N
XLogP6.70
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.80
LogP ≤ 56.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide with MolForge

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Launch Full Analysis

Related Compounds

4-[4-amino-7-[(E)-9-oxo-9-piperidin-1-ylnon-1-enyl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-(4-methylpyridin-1-ium-2-yl)benzamide
CID 168935254
cyclohexanamine;ethane;methyl (E)-7-[4-amino-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]hept-6-enoate
CID 168934327
4-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-[4-(4-ethylpiperazin-1-yl)benzenecarboximidoyl]pyrimidine-4,6-diamine;formaldehyde;methanamine
CID 145410138
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281011
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
1-[4-[[6-amino-5-[4-(3-morpholin-4-yl-3-oxopropyl)benzenecarboximidoyl]pyrimidin-4-yl]amino]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 138526115
(7Z,13Z,16Z)-1-pyrrolidin-1-yldocosa-7,13,16-trien-1-one
CID 91705178
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one
CID 53060145
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 99835760
N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262543

Frequently Asked Questions

What is the IUPAC name of (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide?
The IUPAC name of (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide (CID 168934448) is (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide.
What is the SMILES notation for (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide?
The canonical SMILES for (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide is CC(C)(C)c1cc(Nc2ccc(-c3[nH]nc4c(/C=C/CCCCCCC(=O)N5CCCCC5)cnc(N)c34)cc2)no1.NC=O.
What is the InChIKey of (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide?
The InChIKey is GMAGTCAMQGIPRF-KJEVSKRMSA-N. The full InChI is InChI=1S/C33H43N7O2.CH3NO/c1-33(2,3)26-21-27(39-42-26)36-25-17-15-23(16-18-25)30-29-31(38-37-30)24(22-35-32(29)34)13-9-6-4-5-7-10-14-28(41)40-19-11-8-12-20-40;2-1-3/h9,13,15-18,21-22H,4-8,10-12,14,19-20H2,1-3H3,(H2,34,35)(H,36,39)(H,37,38);1H,(H2,2,3)/b13-9+;.
What are the key properties of (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide?
(E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide has a molecular weight of 614.80 g/mol, XLogP of 6.70, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide is sourced from PubChem (CID 168934448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).