N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

C23H29N5O2 — CID 11682922

IUPACN-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C23H29N5O2/c1-3-19-20(23(29)24-14-16-8-6-5-7-9-16)21(26-17-10-12-30-13-11-17)18-15-25-28(4-2)22(18)27-19/h5-9,15,17H,3-4,10-14H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyCRQGNCVMKRLKMS-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.53
Rot. Bonds7

About N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11682922) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11682922
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C23H29N5O2/c1-3-19-20(23(29)24-14-16-8-6-5-7-9-16)21(26-17-10-12-30-13-11-17)18-15-25-28(4-2)22(18)27-19/h5-9,15,17H,3-4,10-14H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyCRQGNCVMKRLKMS-UHFFFAOYSA-N
XLogP3.53
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten
CID 140522534
[2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenyl]carbamic acid
CID 69072168
2-amino-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
CID 58024772
4-tert-butyl-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
CID 67031407
N,N'-bis[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pentanediamide
CID 25066850
[3-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]benzoyl]oxidanium
CID 163503729
benzenesulfonic acid;5-(chloromethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 87243328
(3-bromophenyl)methanamine;2-N-[(3-bromophenyl)methyl]-6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyridine-2,6-dicarboxamide;6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 158495890
CID 89164462
CID 89164462
4-(azocan-1-yl)-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
CID 67031311
CID 89164319
CID 89164319
CID 89164411
CID 89164411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 11682922) is N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is CRQGNCVMKRLKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-3-19-20(23(29)24-14-16-8-6-5-7-9-16)21(26-17-10-12-30-13-11-17)18-15-25-28(4-2)22(18)27-19/h5-9,15,17H,3-4,10-14H2,1-2H3,(H,24,29)(H,26,27).
What are the key properties of N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11682922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).