N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide

C23H30N6O5 — CID 51696258

IUPACN-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCn2ncc3c(N4C[C@@H](C)O[C@@H](C)C4)ncnc32)cc(OC)c1OC
InChIInChI=1S/C23H30N6O5/c1-14-11-28(12-15(2)34-14)21-17-10-27-29(22(17)26-13-25-21)7-6-24-23(30)16-8-18(31-3)20(33-5)19(9-16)32-4/h8-10,13-15H,6-7,11-12H2,1-5H3,(H,24,30)/t14-,15+
InChIKeyJOWUQKNFWBOWCT-GASCZTMLSA-N
MW470.53 g/mol
LogP1.90
Rot. Bonds8

About N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide

N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 51696258) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
PubChem CID51696258
Molecular FormulaC23H30N6O5
Molecular Weight470.53 g/mol
Exact Mass470.23
IUPAC NameN-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCn2ncc3c(N4C[C@@H](C)O[C@@H](C)C4)ncnc32)cc(OC)c1OC
InChIInChI=1S/C23H30N6O5/c1-14-11-28(12-15(2)34-14)21-17-10-27-29(22(17)26-13-25-21)7-6-24-23(30)16-8-18(31-3)20(33-5)19(9-16)32-4/h8-10,13-15H,6-7,11-12H2,1-5H3,(H,24,30)/t14-,15+
InChIKeyJOWUQKNFWBOWCT-GASCZTMLSA-N
XLogP1.90
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 90613866
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CID 42099780
N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42099739
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
3,4,5-trimethoxy-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391975
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CID 866557
N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
CID 42099687
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899372
3,4,5-trimethoxy-N-[2-[4-(2-methylpropylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 16904642
N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 42099787

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide (CID 51696258) is N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCn2ncc3c(N4C[C@@H](C)O[C@@H](C)C4)ncnc32)cc(OC)c1OC.
What is the InChIKey of N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is JOWUQKNFWBOWCT-GASCZTMLSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-14-11-28(12-15(2)34-14)21-17-10-27-29(22(17)26-13-25-21)7-6-24-23(30)16-8-18(31-3)20(33-5)19(9-16)32-4/h8-10,13-15H,6-7,11-12H2,1-5H3,(H,24,30)/t14-,15+.
What are the key properties of N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 470.53 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 51696258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).