N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide

C23H20F2N6O2 — CID 162649469

IUPACN-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide
SMILESCC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c2c(N)ncnc21
InChIInChI=1S/C23H20F2N6O2/c1-12(2)31-10-16(20-22(26)28-11-29-23(20)31)21(33)14-5-6-27-18(7-14)30-19(32)8-13-3-4-15(24)9-17(13)25/h3-7,9-12H,8H2,1-2H3,(H2,26,28,29)(H,27,30,32)
InChIKeyFNPNYIOGZAWVSD-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.68
Rot. Bonds6

About N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide

N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide (PubChem CID 162649469) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide
PubChem CID162649469
Molecular FormulaC23H20F2N6O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC NameN-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide
SMILESCC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c2c(N)ncnc21
InChIInChI=1S/C23H20F2N6O2/c1-12(2)31-10-16(20-22(26)28-11-29-23(20)31)21(33)14-5-6-27-18(7-14)30-19(32)8-13-3-4-15(24)9-17(13)25/h3-7,9-12H,8H2,1-2H3,(H2,26,28,29)(H,27,30,32)
InChIKeyFNPNYIOGZAWVSD-UHFFFAOYSA-N
XLogP3.68
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide (CID 162649469) is N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide is CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c2c(N)ncnc21.
What is the InChIKey of N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide?
The InChIKey is FNPNYIOGZAWVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c1-12(2)31-10-16(20-22(26)28-11-29-23(20)31)21(33)14-5-6-27-18(7-14)30-19(32)8-13-3-4-15(24)9-17(13)25/h3-7,9-12H,8H2,1-2H3,(H2,26,28,29)(H,27,30,32).
What are the key properties of N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide?
N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide has a molecular weight of 450.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-pyridinyl]-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 162649469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).