N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide

C23H21N5O — CID 126616914

IUPACN-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccncc2C1
InChIInChI=1S/C23H21N5O/c1-15(29)26-13-23(10-17-5-7-24-12-18(17)11-23)19-4-2-3-16(9-19)21-20-6-8-25-22(20)28-14-27-21/h2-9,12,14H,10-11,13H2,1H3,(H,26,29)(H,25,27,28)
InChIKeySBJYBFMDOHOLKL-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.19
Rot. Bonds4

About N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide

N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide (PubChem CID 126616914) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide
PubChem CID126616914
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccncc2C1
InChIInChI=1S/C23H21N5O/c1-15(29)26-13-23(10-17-5-7-24-12-18(17)11-23)19-4-2-3-16(9-19)21-20-6-8-25-22(20)28-14-27-21/h2-9,12,14H,10-11,13H2,1H3,(H,26,29)(H,25,27,28)
InChIKeySBJYBFMDOHOLKL-UHFFFAOYSA-N
XLogP3.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide?
The IUPAC name of N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide (CID 126616914) is N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide is CC(=O)NCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccncc2C1.
What is the InChIKey of N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide?
The InChIKey is SBJYBFMDOHOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15(29)26-13-23(10-17-5-7-24-12-18(17)11-23)19-4-2-3-16(9-19)21-20-6-8-25-22(20)28-14-27-21/h2-9,12,14H,10-11,13H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide?
N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide is sourced from PubChem (CID 126616914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).