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

C25H33N7O4 — CID 121409587

IUPACN-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@@H]2CCC[C@H]2O)cc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C25H33N7O4/c1-15(14-35-2)36-25-28-19(24(34)27-18-6-3-7-20(18)33)13-21(29-25)32-11-8-16(9-12-32)22-17-5-4-10-26-23(17)31-30-22/h4-5,10,13,15-16,18,20,33H,3,6-9,11-12,14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,18-,20-/m1/s1
InChIKeyZZTZWDBHNQGQFH-XFQXTVEOSA-N
MW495.58 g/mol
LogP2.19
Rot. Bonds8

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

N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 121409587) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID121409587
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC NameN-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@@H]2CCC[C@H]2O)cc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C25H33N7O4/c1-15(14-35-2)36-25-28-19(24(34)27-18-6-3-7-20(18)33)13-21(29-25)32-11-8-16(9-12-32)22-17-5-4-10-26-23(17)31-30-22/h4-5,10,13,15-16,18,20,33H,3,6-9,11-12,14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,18-,20-/m1/s1
InChIKeyZZTZWDBHNQGQFH-XFQXTVEOSA-N
XLogP2.19
TPSA138.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(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-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 121409587) is N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is COC[C@@H](C)Oc1nc(C(=O)N[C@@H]2CCC[C@H]2O)cc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is ZZTZWDBHNQGQFH-XFQXTVEOSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-15(14-35-2)36-25-28-19(24(34)27-18-6-3-7-20(18)33)13-21(29-25)32-11-8-16(9-12-32)22-17-5-4-10-26-23(17)31-30-22/h4-5,10,13,15-16,18,20,33H,3,6-9,11-12,14H2,1-2H3,(H,27,34)(H,26,30,31)/t15-,18-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclopentyl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).