2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

C26H29N7O2 — CID 171431506

IUPAC2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(C)(C)c1cnc(CC(=O)Nc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cn1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)22-15-27-19(14-28-22)12-23(34)31-18-6-4-17(5-7-18)21-13-20-24(32-21)29-16-30-25(20)33-8-10-35-11-9-33/h4-7,13-16H,8-12H2,1-3H3,(H,31,34)(H,29,30,32)
InChIKeyPIIVBNVMBONOLA-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.73
Rot. Bonds5

About 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 171431506) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID171431506
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(C)(C)c1cnc(CC(=O)Nc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cn1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)22-15-27-19(14-28-22)12-23(34)31-18-6-4-17(5-7-18)21-13-20-24(32-21)29-16-30-25(20)33-8-10-35-11-9-33/h4-7,13-16H,8-12H2,1-3H3,(H,31,34)(H,29,30,32)
InChIKeyPIIVBNVMBONOLA-UHFFFAOYSA-N
XLogP3.73
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 163751773
N-[(4-tert-butyl-2-pyridinyl)methyl]-4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline
CID 171431535
ethane;N-[4-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]carbamoylamino]phenyl]but-2-ynamide
CID 167469014
(E)-4-(dimethylamino)-N-[2-methyl-4-[2-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]-2-oxoethyl]phenyl]but-2-enamide
CID 154988974
N-[1-[2-[2-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]-2-oxoethyl]-4-pyridinyl]piperidin-3-yl]prop-2-enamide
CID 154988957
(E)-4-(dimethylamino)-3-methyl-N-[1-[2-[2-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]-2-oxoethyl]-4-pyridinyl]piperidin-3-yl]but-2-enamide
CID 166697115
N-[4-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]sulfanylmethyl]phenyl]but-2-ynamide
CID 167040153
N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-[1-(1-prop-2-enoylazetidin-3-yl)piperidin-4-yl]acetamide
CID 164539057
2-[3-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-2-methyl-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propanamide
CID 171431566
N-[4-[4-[2-[5-[5-[2-[4-(6-morpholin-4-yl-7H-purin-8-yl)anilino]-2-oxoethyl]-1H-pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide
CID 167040161
1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-4-hydroxy-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]piperidine-4-carboxamide
CID 170609511
ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 164539171

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (CID 171431506) is 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is CC(C)(C)c1cnc(CC(=O)Nc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cn1.
What is the InChIKey of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is PIIVBNVMBONOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-26(2,3)22-15-27-19(14-28-22)12-23(34)31-18-6-4-17(5-7-18)21-13-20-24(32-21)29-16-30-25(20)33-8-10-35-11-9-33/h4-7,13-16H,8-12H2,1-3H3,(H,31,34)(H,29,30,32).
What are the key properties of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 471.57 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 171431506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).