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

C26H30N8O4 — CID 121409460

IUPACN-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide
SMILESCOc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OCc5cccnc5)n4)CC3)c12
InChIInChI=1S/C26H30N8O4/c1-16(14-35)29-25(36)19-12-21(31-26(30-19)38-15-17-4-3-8-27-13-17)34-10-6-18(7-11-34)23-22-20(37-2)5-9-28-24(22)33-32-23/h3-5,8-9,12-13,16,18,35H,6-7,10-11,14-15H2,1-2H3,(H,29,36)(H,28,32,33)/t16-/m1/s1
InChIKeyVYWMIXWSUJCABH-MRXNPFEDSA-N
MW518.58 g/mol
LogP2.23
Rot. Bonds9

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

N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide (PubChem CID 121409460) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide
PubChem CID121409460
Molecular FormulaC26H30N8O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide
SMILESCOc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OCc5cccnc5)n4)CC3)c12
InChIInChI=1S/C26H30N8O4/c1-16(14-35)29-25(36)19-12-21(31-26(30-19)38-15-17-4-3-8-27-13-17)34-10-6-18(7-11-34)23-22-20(37-2)5-9-28-24(22)33-32-23/h3-5,8-9,12-13,16,18,35H,6-7,10-11,14-15H2,1-2H3,(H,29,36)(H,28,32,33)/t16-/m1/s1
InChIKeyVYWMIXWSUJCABH-MRXNPFEDSA-N
XLogP2.23
TPSA151.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57401229
US9593097, Example 509
CID 121408977
US9593097, Example 360
CID 121409029
US9593097, Example 462
CID 121409134
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
N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-(pyridazine-3-carbonyl)piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145985060
2-(2,4-difluorophenyl)-1-[4-[[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
CID 162669052

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide (CID 121409460) is N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide is COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OCc5cccnc5)n4)CC3)c12.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide?
The InChIKey is VYWMIXWSUJCABH-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-16(14-35)29-25(36)19-12-21(31-26(30-19)38-15-17-4-3-8-27-13-17)34-10-6-18(7-11-34)23-22-20(37-2)5-9-28-24(22)33-32-23/h3-5,8-9,12-13,16,18,35H,6-7,10-11,14-15H2,1-2H3,(H,29,36)(H,28,32,33)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-(pyridin-3-ylmethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 121409460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).