N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide

C24H30N8OS — CID 25144865

IUPACN,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1
InChIInChI=1S/C24H30N8OS/c1-4-31(5-2)24(33)21-17(15-30-8-6-7-9-30)10-20(34-21)29-22-23-25-13-19(18-11-26-27-12-18)32(23)14-16(3)28-22/h10-14H,4-9,15H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyBMMJZOXYENXOCB-UHFFFAOYSA-N
MW478.63 g/mol
LogP4.31
Rot. Bonds8

About N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide

N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide (PubChem CID 25144865) has the molecular formula C24H30N8OS and a molecular weight of 478.63 g/mol. Its IUPAC name is N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide
PubChem CID25144865
Molecular FormulaC24H30N8OS
Molecular Weight478.63 g/mol
Exact Mass478.23
IUPAC NameN,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1
InChIInChI=1S/C24H30N8OS/c1-4-31(5-2)24(33)21-17(15-30-8-6-7-9-30)10-20(34-21)29-22-23-25-13-19(18-11-26-27-12-18)32(23)14-16(3)28-22/h10-14H,4-9,15H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyBMMJZOXYENXOCB-UHFFFAOYSA-N
XLogP4.31
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide (CID 25144865) is N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide is CCN(CC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1.
What is the InChIKey of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BMMJZOXYENXOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8OS/c1-4-31(5-2)24(33)21-17(15-30-8-6-7-9-30)10-20(34-21)29-22-23-25-13-19(18-11-26-27-12-18)32(23)14-16(3)28-22/h10-14H,4-9,15H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide?
N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide has a molecular weight of 478.63 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 25144865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).