2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide

C28H32N6O — CID 159397030

IUPAC2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCc1cc(-n2ncc3cc(CC(=O)N[C@H]4[C@H](c5ccccc5C)CN(C)C4(C)C)ncc32)ccn1
InChIInChI=1S/C28H32N6O/c1-18-8-6-7-9-23(18)24-17-33(5)28(3,4)27(24)32-26(35)14-21-13-20-15-31-34(25(20)16-30-21)22-10-11-29-19(2)12-22/h6-13,15-16,24,27H,14,17H2,1-5H3,(H,32,35)/t24-,27-/m0/s1
InChIKeyLMVXZUBPEUBFKB-IGKIAQTJSA-N
MW468.61 g/mol
LogP3.97
Rot. Bonds5

About 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide

2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 159397030) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide
PubChem CID159397030
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCc1cc(-n2ncc3cc(CC(=O)N[C@H]4[C@H](c5ccccc5C)CN(C)C4(C)C)ncc32)ccn1
InChIInChI=1S/C28H32N6O/c1-18-8-6-7-9-23(18)24-17-33(5)28(3,4)27(24)32-26(35)14-21-13-20-15-31-34(25(20)16-30-21)22-10-11-29-19(2)12-22/h6-13,15-16,24,27H,14,17H2,1-5H3,(H,32,35)/t24-,27-/m0/s1
InChIKeyLMVXZUBPEUBFKB-IGKIAQTJSA-N
XLogP3.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide (CID 159397030) is 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide is Cc1cc(-n2ncc3cc(CC(=O)N[C@H]4[C@H](c5ccccc5C)CN(C)C4(C)C)ncc32)ccn1.
What is the InChIKey of 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LMVXZUBPEUBFKB-IGKIAQTJSA-N. The full InChI is InChI=1S/C28H32N6O/c1-18-8-6-7-9-23(18)24-17-33(5)28(3,4)27(24)32-26(35)14-21-13-20-15-31-34(25(20)16-30-21)22-10-11-29-19(2)12-22/h6-13,15-16,24,27H,14,17H2,1-5H3,(H,32,35)/t24-,27-/m0/s1.
What are the key properties of 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide?
2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 468.61 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 159397030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).