N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide

C23H22FN7O2 — CID 121331836

IUPACN-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
SMILESCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnc(N)nc21
InChIInChI=1S/C23H22FN7O2/c1-23(2,3)31-12-18(17-11-28-22(25)30-21(17)31)20(33)13-6-16(10-26-8-13)29-19(32)7-15-5-4-14(24)9-27-15/h4-6,8-12H,7H2,1-3H3,(H,29,32)(H2,25,28,30)
InChIKeyIVPNEDIPIZCOJB-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.11
Rot. Bonds5

About N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide

N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 121331836) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
PubChem CID121331836
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC NameN-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
SMILESCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnc(N)nc21
InChIInChI=1S/C23H22FN7O2/c1-23(2,3)31-12-18(17-11-28-22(25)30-21(17)31)20(33)13-6-16(10-26-8-13)29-19(32)7-15-5-4-14(24)9-27-15/h4-6,8-12H,7H2,1-3H3,(H,29,32)(H2,25,28,30)
InChIKeyIVPNEDIPIZCOJB-UHFFFAOYSA-N
XLogP3.11
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 66571443
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 90683770
N-[5-[2-amino-7-(1-hydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 66571658
N-[5-[2-amino-7-(1-hydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90683734
N-[5-(7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 121331851
[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone
CID 70817725
2-(2,5-difluorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683713
2-(2,4-difluorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683714
N-[5-[2-amino-7-(1-hydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)triazol-1-yl]acetamide
CID 121331854
N-[5-[7-(1,3-dihydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 90683750
2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
CID 118341228
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide (CID 121331836) is N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide is CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnc(N)nc21.
What is the InChIKey of N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is IVPNEDIPIZCOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-23(2,3)31-12-18(17-11-28-22(25)30-21(17)31)20(33)13-6-16(10-26-8-13)29-19(32)7-15-5-4-14(24)9-27-15/h4-6,8-12H,7H2,1-3H3,(H,29,32)(H2,25,28,30).
What are the key properties of N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 447.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 121331836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).