N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide

C22H34N6O2 — CID 68638662

IUPACN-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)C1CCNCC1
InChIInChI=1S/C22H34N6O2/c1-3-19-17(13-24-22(29)15-5-9-23-10-6-15)20(26-16-7-11-30-12-8-16)18-14-25-28(4-2)21(18)27-19/h14-16,23H,3-13H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyGMCPCNRJFOKERH-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.22
Rot. Bonds7

About N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide

N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 68638662) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide
PubChem CID68638662
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC NameN-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)C1CCNCC1
InChIInChI=1S/C22H34N6O2/c1-3-19-17(13-24-22(29)15-5-9-23-10-6-15)20(26-16-7-11-30-12-8-16)18-14-25-28(4-2)21(18)27-19/h14-16,23H,3-13H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyGMCPCNRJFOKERH-UHFFFAOYSA-N
XLogP2.22
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide (CID 68638662) is N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide is CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)C1CCNCC1.
What is the InChIKey of N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is GMCPCNRJFOKERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-3-19-17(13-24-22(29)15-5-9-23-10-6-15)20(26-16-7-11-30-12-8-16)18-14-25-28(4-2)21(18)27-19/h14-16,23H,3-13H2,1-2H3,(H,24,29)(H,26,27).
What are the key properties of N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide?
N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 68638662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).