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

C25H33N7O2 — CID 69246980

IUPAC4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1ccccc1[C@@H](C)NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C25H33N7O2/c1-4-17-8-6-7-9-19(17)16(3)29-24(33)21-14-27-23-20(15-28-32(23)5-2)22(21)30-18-10-12-31(13-11-18)25(26)34/h6-9,14-16,18H,4-5,10-13H2,1-3H3,(H2,26,34)(H,27,30)(H,29,33)/t16-/m1/s1
InChIKeyOEEYAPILAVFNBD-MRXNPFEDSA-N
MW463.59 g/mol
LogP3.46
Rot. Bonds7

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

4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69246980) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69246980
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1ccccc1[C@@H](C)NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C25H33N7O2/c1-4-17-8-6-7-9-19(17)16(3)29-24(33)21-14-27-23-20(15-28-32(23)5-2)22(21)30-18-10-12-31(13-11-18)25(26)34/h6-9,14-16,18H,4-5,10-13H2,1-3H3,(H2,26,34)(H,27,30)(H,29,33)/t16-/m1/s1
InChIKeyOEEYAPILAVFNBD-MRXNPFEDSA-N
XLogP3.46
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.46
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-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69246980) is 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]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-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCc1ccccc1[C@@H](C)NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OEEYAPILAVFNBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-4-17-8-6-7-9-19(17)16(3)29-24(33)21-14-27-23-20(15-28-32(23)5-2)22(21)30-18-10-12-31(13-11-18)25(26)34/h6-9,14-16,18H,4-5,10-13H2,1-3H3,(H2,26,34)(H,27,30)(H,29,33)/t16-/m1/s1.
What are the key properties of 4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 3.46, 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-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69246980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).