N-[(1R,2R)-2-hydroxycyclopentyl]-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

C26H35N7O5 — CID 121409596

IUPACN-[(1R,2R)-2-hydroxycyclopentyl]-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)N[C@@H]2CCC[C@H]2O)cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)n1
InChIInChI=1S/C26H35N7O5/c1-15(14-36-2)38-26-29-18(25(35)28-17-5-4-6-19(17)34)13-21(30-26)33-11-8-16(9-12-33)23-22-20(37-3)7-10-27-24(22)32-31-23/h7,10,13,15-17,19,34H,4-6,8-9,11-12,14H2,1-3H3,(H,28,35)(H,27,31,32)/t15-,17-,19-/m1/s1
InChIKeyHKYDPYVPFPTXAX-SZVBFZGTSA-N
MW525.61 g/mol
LogP2.20
Rot. Bonds9

About N-[(1R,2R)-2-hydroxycyclopentyl]-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-[(1R,2R)-2-hydroxycyclopentyl]-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 121409596) has the molecular formula C26H35N7O5 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopentyl]-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-[(1R,2R)-2-hydroxycyclopentyl]-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 CID121409596
Molecular FormulaC26H35N7O5
Molecular Weight525.61 g/mol
Exact Mass525.27
IUPAC NameN-[(1R,2R)-2-hydroxycyclopentyl]-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)N[C@@H]2CCC[C@H]2O)cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)n1
InChIInChI=1S/C26H35N7O5/c1-15(14-36-2)38-26-29-18(25(35)28-17-5-4-6-19(17)34)13-21(30-26)33-11-8-16(9-12-33)23-22-20(37-3)7-10-27-24(22)32-31-23/h7,10,13,15-17,19,34H,4-6,8-9,11-12,14H2,1-3H3,(H,28,35)(H,27,31,32)/t15-,17-,19-/m1/s1
InChIKeyHKYDPYVPFPTXAX-SZVBFZGTSA-N
XLogP2.20
TPSA147.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,2R)-2-hydroxycyclopentyl]-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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Related Compounds

US9593097, Example 360
CID 121409029
US9593097, Example 462
CID 121409134
US9593097, Example 430
CID 121409137
US9593097, Example 363
CID 121409171
US9593097, Example 371
CID 121409190
US9593097, Example 422
CID 121409451
US9593097, Example 364
CID 121409466
US9593097, Example 432
CID 121409573
US9593097, Example 366
CID 121430136
US9593097, Example 428
CID 121409140
US9593097, Example 449
CID 121409366
US9593097, Example 463
CID 121409434

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-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-[(1R,2R)-2-hydroxycyclopentyl]-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 121409596) is N-[(1R,2R)-2-hydroxycyclopentyl]-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-[(1R,2R)-2-hydroxycyclopentyl]-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-[(1R,2R)-2-hydroxycyclopentyl]-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)N[C@@H]2CCC[C@H]2O)cc(N2CCC(c3[nH]nc4nccc(OC)c34)CC2)n1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopentyl]-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 HKYDPYVPFPTXAX-SZVBFZGTSA-N. The full InChI is InChI=1S/C26H35N7O5/c1-15(14-36-2)38-26-29-18(25(35)28-17-5-4-6-19(17)34)13-21(30-26)33-11-8-16(9-12-33)23-22-20(37-3)7-10-27-24(22)32-31-23/h7,10,13,15-17,19,34H,4-6,8-9,11-12,14H2,1-3H3,(H,28,35)(H,27,31,32)/t15-,17-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopentyl]-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-[(1R,2R)-2-hydroxycyclopentyl]-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 525.61 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 10 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-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).