N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide

C23H25N7O2 — CID 54581954

IUPACN-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1
InChIInChI=1S/C23H25N7O2/c1-2-19(31)30-18-4-3-14(12-26-18)21-25-8-5-16(29-21)17-11-15-20(28-17)23(13-27-22(15)32)6-9-24-10-7-23/h3-5,8,11-12,24,28H,2,6-7,9-10,13H2,1H3,(H,27,32)(H,26,30,31)
InChIKeyIDUCVMPPUQEZII-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.25
Rot. Bonds4

About N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide

N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide (PubChem CID 54581954) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide
PubChem CID54581954
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1
InChIInChI=1S/C23H25N7O2/c1-2-19(31)30-18-4-3-14(12-26-18)21-25-8-5-16(29-21)17-11-15-20(28-17)23(13-27-22(15)32)6-9-24-10-7-23/h3-5,8,11-12,24,28H,2,6-7,9-10,13H2,1H3,(H,27,32)(H,26,30,31)
InChIKeyIDUCVMPPUQEZII-UHFFFAOYSA-N
XLogP2.25
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide (CID 54581954) is N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1.
What is the InChIKey of N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is IDUCVMPPUQEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-2-19(31)30-18-4-3-14(12-26-18)21-25-8-5-16(29-21)17-11-15-20(28-17)23(13-27-22(15)32)6-9-24-10-7-23/h3-5,8,11-12,24,28H,2,6-7,9-10,13H2,1H3,(H,27,32)(H,26,30,31).
What are the key properties of N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide?
N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 431.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyrimidin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 54581954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).