pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide

C46H48N10O3 — CID 158670872

IUPACpyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide
SMILESCn1cc2c(n1)-c1[nH]c3ccc(C(=O)NCc4ccccn4)cc3c1C(C)(C)C2.Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)O)cc3c1C(C)(C)C2.NCc1ccccn1
InChIInChI=1S/C23H23N5O.C17H17N3O2.C6H8N2/c1-23(2)11-15-13-28(3)27-20(15)21-19(23)17-10-14(7-8-18(17)26-21)22(29)25-12-16-6-4-5-9-24-16;1-17(2)7-10-8-20(3)19-14(10)15-13(17)11-6-9(16(21)22)4-5-12(11)18-15;7-5-6-3-1-2-4-8-6/h4-10,13,26H,11-12H2,1-3H3,(H,25,29);4-6,8,18H,7H2,1-3H3,(H,21,22);1-4H,5,7H2
InChIKeyIDXXTEROPYDCTR-UHFFFAOYSA-N
MW788.96 g/mol
LogP7.37
Rot. Bonds5

About pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide

pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide (PubChem CID 158670872) has the molecular formula C46H48N10O3 and a molecular weight of 788.96 g/mol. Its IUPAC name is pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide.

Molecular Properties

Compound Namepyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide
PubChem CID158670872
Molecular FormulaC46H48N10O3
Molecular Weight788.96 g/mol
Exact Mass788.39
IUPAC Namepyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide
SMILESCn1cc2c(n1)-c1[nH]c3ccc(C(=O)NCc4ccccn4)cc3c1C(C)(C)C2.Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)O)cc3c1C(C)(C)C2.NCc1ccccn1
InChIInChI=1S/C23H23N5O.C17H17N3O2.C6H8N2/c1-23(2)11-15-13-28(3)27-20(15)21-19(23)17-10-14(7-8-18(17)26-21)22(29)25-12-16-6-4-5-9-24-16;1-17(2)7-10-8-20(3)19-14(10)15-13(17)11-6-9(16(21)22)4-5-12(11)18-15;7-5-6-3-1-2-4-8-6/h4-10,13,26H,11-12H2,1-3H3,(H,25,29);4-6,8,18H,7H2,1-3H3,(H,21,22);1-4H,5,7H2
InChIKeyIDXXTEROPYDCTR-UHFFFAOYSA-N
XLogP7.37
TPSA185.42 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.96
LogP ≤ 57.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 176186501

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?
The IUPAC name of pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide (CID 158670872) is pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide.
What is the SMILES notation for pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?
The canonical SMILES for pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide is Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)NCc4ccccn4)cc3c1C(C)(C)C2.Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)O)cc3c1C(C)(C)C2.NCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?
The InChIKey is IDXXTEROPYDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C17H17N3O2.C6H8N2/c1-23(2)11-15-13-28(3)27-20(15)21-19(23)17-10-14(7-8-18(17)26-21)22(29)25-12-16-6-4-5-9-24-16;1-17(2)7-10-8-20(3)19-14(10)15-13(17)11-6-9(16(21)22)4-5-12(11)18-15;7-5-6-3-1-2-4-8-6/h4-10,13,26H,11-12H2,1-3H3,(H,25,29);4-6,8,18H,7H2,1-3H3,(H,21,22);1-4H,5,7H2.
What are the key properties of pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?
pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide has a molecular weight of 788.96 g/mol, XLogP of 7.37, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide is sourced from PubChem (CID 158670872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).