N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C25H33N7O5 — CID 121409106

IUPACN-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)NC2CCC2O)cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)n1
InChIInChI=1S/C25H33N7O5/c1-14(13-35-2)37-25-28-17(24(34)27-16-4-5-18(16)33)12-20(29-25)32-10-7-15(8-11-32)22-21-19(36-3)6-9-26-23(21)31-30-22/h6,9,12,14-16,18,33H,4-5,7-8,10-11,13H2,1-3H3,(H,27,34)(H,26,30,31)/t14-,16?,18?/m1/s1
InChIKeyZAYJKKYFJGKGPT-MXWWQKGMSA-N
MW511.58 g/mol
LogP1.81
Rot. Bonds9

About N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 121409106) has the molecular formula C25H33N7O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID121409106
Molecular FormulaC25H33N7O5
Molecular Weight511.58 g/mol
Exact Mass511.25
IUPAC NameN-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)NC2CCC2O)cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)n1
InChIInChI=1S/C25H33N7O5/c1-14(13-35-2)37-25-28-17(24(34)27-16-4-5-18(16)33)12-20(29-25)32-10-7-15(8-11-32)22-21-19(36-3)6-9-26-23(21)31-30-22/h6,9,12,14-16,18,33H,4-5,7-8,10-11,13H2,1-3H3,(H,27,34)(H,26,30,31)/t14-,16?,18?/m1/s1
InChIKeyZAYJKKYFJGKGPT-MXWWQKGMSA-N
XLogP1.81
TPSA147.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 121409106) is N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is COC[C@@H](C)Oc1nc(C(=O)NC2CCC2O)cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)n1.
What is the InChIKey of N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is ZAYJKKYFJGKGPT-MXWWQKGMSA-N. The full InChI is InChI=1S/C25H33N7O5/c1-14(13-35-2)37-25-28-17(24(34)27-16-4-5-18(16)33)12-20(29-25)32-10-7-15(8-11-32)22-21-19(36-3)6-9-26-23(21)31-30-22/h6,9,12,14-16,18,33H,4-5,7-8,10-11,13H2,1-3H3,(H,27,34)(H,26,30,31)/t14-,16?,18?/m1/s1.
What are the key properties of N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclobutyl)-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).