4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C27H37N7O2 — CID 69247965

IUPAC4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C27H37N7O2/c1-6-22(23-17(4)12-16(3)13-18(23)5)32-26(35)21-14-29-25-20(15-30-34(25)7-2)24(21)31-19-8-10-33(11-9-19)27(28)36/h12-15,19,22H,6-11H2,1-5H3,(H2,28,36)(H,29,31)(H,32,35)/t22-/m1/s1
InChIKeyYAPDWQAPFOHWTM-JOCHJYFZSA-N
MW491.64 g/mol
LogP4.21
Rot. Bonds7

About 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69247965) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69247965
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Name4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C27H37N7O2/c1-6-22(23-17(4)12-16(3)13-18(23)5)32-26(35)21-14-29-25-20(15-30-34(25)7-2)24(21)31-19-8-10-33(11-9-19)27(28)36/h12-15,19,22H,6-11H2,1-5H3,(H2,28,36)(H,29,31)(H,32,35)/t22-/m1/s1
InChIKeyYAPDWQAPFOHWTM-JOCHJYFZSA-N
XLogP4.21
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69247965) is 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1)c1c(C)cc(C)cc1C.
What is the InChIKey of 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YAPDWQAPFOHWTM-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-6-22(23-17(4)12-16(3)13-18(23)5)32-26(35)21-14-29-25-20(15-30-34(25)7-2)24(21)31-19-8-10-33(11-9-19)27(28)36/h12-15,19,22H,6-11H2,1-5H3,(H2,28,36)(H,29,31)(H,32,35)/t22-/m1/s1.
What are the key properties of 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69247965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).