2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C25H21N7O2 — CID 90683607

IUPAC2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnc4cccnc4c3)c2)c2cncnc21
InChIInChI=1S/C25H21N7O2/c1-15(2)32-13-20(19-12-27-14-30-25(19)32)24(34)17-8-18(11-26-10-17)31-23(33)7-16-6-22-21(29-9-16)4-3-5-28-22/h3-6,8-15H,7H2,1-2H3,(H,31,33)
InChIKeyYJZKGZHHGCMWNQ-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.76
Rot. Bonds6

About 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683607) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683607
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC Name2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnc4cccnc4c3)c2)c2cncnc21
InChIInChI=1S/C25H21N7O2/c1-15(2)32-13-20(19-12-27-14-30-25(19)32)24(34)17-8-18(11-26-10-17)31-23(33)7-16-6-22-21(29-9-16)4-3-5-28-22/h3-6,8-15H,7H2,1-2H3,(H,31,33)
InChIKeyYJZKGZHHGCMWNQ-UHFFFAOYSA-N
XLogP3.76
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683607) is 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnc4cccnc4c3)c2)c2cncnc21.
What is the InChIKey of 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is YJZKGZHHGCMWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c1-15(2)32-13-20(19-12-27-14-30-25(19)32)24(34)17-8-18(11-26-10-17)31-23(33)7-16-6-22-21(29-9-16)4-3-5-28-22/h3-6,8-15H,7H2,1-2H3,(H,31,33).
What are the key properties of 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 451.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).