N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine

C23H31N7O2 — CID 171820762

IUPACN-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESC=C/C=C(\C)c1cnc(Nc2cnn(C3CCN(CC(OC)OC)CC3)c2)c2nccn12
InChIInChI=1S/C23H31N7O2/c1-5-6-17(2)20-14-25-22(23-24-9-12-29(20)23)27-18-13-26-30(15-18)19-7-10-28(11-8-19)16-21(31-3)32-4/h5-6,9,12-15,19,21H,1,7-8,10-11,16H2,2-4H3,(H,25,27)/b17-6+
InChIKeySRJTWICKQFFILO-UBKPWBPPSA-N
MW437.55 g/mol
LogP3.51
Rot. Bonds9

About N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine

N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 171820762) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID171820762
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC NameN-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESC=C/C=C(\C)c1cnc(Nc2cnn(C3CCN(CC(OC)OC)CC3)c2)c2nccn12
InChIInChI=1S/C23H31N7O2/c1-5-6-17(2)20-14-25-22(23-24-9-12-29(20)23)27-18-13-26-30(15-18)19-7-10-28(11-8-19)16-21(31-3)32-4/h5-6,9,12-15,19,21H,1,7-8,10-11,16H2,2-4H3,(H,25,27)/b17-6+
InChIKeySRJTWICKQFFILO-UBKPWBPPSA-N
XLogP3.51
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine (CID 171820762) is N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine is C=C/C=C(\C)c1cnc(Nc2cnn(C3CCN(CC(OC)OC)CC3)c2)c2nccn12.
What is the InChIKey of N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is SRJTWICKQFFILO-UBKPWBPPSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-5-6-17(2)20-14-25-22(23-24-9-12-29(20)23)27-18-13-26-30(15-18)19-7-10-28(11-8-19)16-21(31-3)32-4/h5-6,9,12-15,19,21H,1,7-8,10-11,16H2,2-4H3,(H,25,27)/b17-6+.
What are the key properties of N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine?
N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 437.55 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 171820762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).