2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde

C23H29N5O2 — CID 166865328

IUPAC2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde
SMILESCc1cc(-c2[nH]c3cnc(C4CCN(CC=O)CC4)nc3c2C(C)C)cn(C)c1=O
InChIInChI=1S/C23H29N5O2/c1-14(2)19-20(17-11-15(3)23(30)27(4)13-17)25-18-12-24-22(26-21(18)19)16-5-7-28(8-6-16)9-10-29/h10-14,16,25H,5-9H2,1-4H3
InChIKeyBNXZMLDVTZWYNV-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde

2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde (PubChem CID 166865328) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde
PubChem CID166865328
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde
SMILESCc1cc(-c2[nH]c3cnc(C4CCN(CC=O)CC4)nc3c2C(C)C)cn(C)c1=O
InChIInChI=1S/C23H29N5O2/c1-14(2)19-20(17-11-15(3)23(30)27(4)13-17)25-18-12-24-22(26-21(18)19)16-5-7-28(8-6-16)9-10-29/h10-14,16,25H,5-9H2,1-4H3
InChIKeyBNXZMLDVTZWYNV-UHFFFAOYSA-N
XLogP3.13
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one
CID 154641045
1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
CID 138686305
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464327
1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 154641049
2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
CID 166655588
2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide
CID 138688605
1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one
CID 137464604
7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155161041
8-methyl-6-[5-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 167082320
3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one
CID 137464364

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde (CID 166865328) is 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde is Cc1cc(-c2[nH]c3cnc(C4CCN(CC=O)CC4)nc3c2C(C)C)cn(C)c1=O.
What is the InChIKey of 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde?
The InChIKey is BNXZMLDVTZWYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14(2)19-20(17-11-15(3)23(30)27(4)13-17)25-18-12-24-22(26-21(18)19)16-5-7-28(8-6-16)9-10-29/h10-14,16,25H,5-9H2,1-4H3.
What are the key properties of 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde?
2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde has a molecular weight of 407.52 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 166865328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).