4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

C22H28N8O3 — CID 121409236

IUPAC4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C22H28N8O3/c1-13(11-31)24-20(32)19-25-21(27-22(26-19)33-12-14-4-5-14)30-9-6-15(7-10-30)17-16-3-2-8-23-18(16)29-28-17/h2-3,8,13-15,31H,4-7,9-12H2,1H3,(H,24,32)(H,23,28,29)/t13-/m1/s1
InChIKeyHUHDGMZVEOKRFB-CYBMUJFWSA-N
MW452.52 g/mol
LogP1.43
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 121409236) has the molecular formula C22H28N8O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
PubChem CID121409236
Molecular FormulaC22H28N8O3
Molecular Weight452.52 g/mol
Exact Mass452.23
IUPAC Name4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C22H28N8O3/c1-13(11-31)24-20(32)19-25-21(27-22(26-19)33-12-14-4-5-14)30-9-6-15(7-10-30)17-16-3-2-8-23-18(16)29-28-17/h2-3,8,13-15,31H,4-7,9-12H2,1H3,(H,24,32)(H,23,28,29)/t13-/m1/s1
InChIKeyHUHDGMZVEOKRFB-CYBMUJFWSA-N
XLogP1.43
TPSA142.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (CID 121409236) is 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is C[C@H](CO)NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is HUHDGMZVEOKRFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H28N8O3/c1-13(11-31)24-20(32)19-25-21(27-22(26-19)33-12-14-4-5-14)30-9-6-15(7-10-30)17-16-3-2-8-23-18(16)29-28-17/h2-3,8,13-15,31H,4-7,9-12H2,1H3,(H,24,32)(H,23,28,29)/t13-/m1/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121409236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).