N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C21H23F2N7S — CID 71044787

IUPACN-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(CN3CCCC(F)(F)CC3)s2)n1
InChIInChI=1S/C21H23F2N7S/c1-14-12-30-17(15-9-25-26-10-15)11-24-20(30)19(27-14)28-18-4-3-16(31-18)13-29-7-2-5-21(22,23)6-8-29/h3-4,9-12H,2,5-8,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyFAZXGHBBPNWSKQ-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.85
Rot. Bonds5

About N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 71044787) has the molecular formula C21H23F2N7S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID71044787
Molecular FormulaC21H23F2N7S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC NameN-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(CN3CCCC(F)(F)CC3)s2)n1
InChIInChI=1S/C21H23F2N7S/c1-14-12-30-17(15-9-25-26-10-15)11-24-20(30)19(27-14)28-18-4-3-16(31-18)13-29-7-2-5-21(22,23)6-8-29/h3-4,9-12H,2,5-8,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyFAZXGHBBPNWSKQ-UHFFFAOYSA-N
XLogP4.85
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 71044787) is N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(CN3CCCC(F)(F)CC3)s2)n1.
What is the InChIKey of N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FAZXGHBBPNWSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N7S/c1-14-12-30-17(15-9-25-26-10-15)11-24-20(30)19(27-14)28-18-4-3-16(31-18)13-29-7-2-5-21(22,23)6-8-29/h3-4,9-12H,2,5-8,13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 443.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 71044787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).