N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine

C27H28F2N10S — CID 59503560

IUPACN-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cnn(Cc5nc6c(F)c(F)ccc6[nH]5)c4)cnc23)sn1)C(C)C
InChIInChI=1S/C27H28F2N10S/c1-5-37(15(2)3)13-18-8-23(40-36-18)35-26-27-30-10-21(39(27)11-16(4)32-26)17-9-31-38(12-17)14-22-33-20-7-6-19(28)24(29)25(20)34-22/h6-12,15H,5,13-14H2,1-4H3,(H,32,35)(H,33,34)
InChIKeyBRJSFNNACGJIQQ-UHFFFAOYSA-N
MW562.65 g/mol
LogP5.53
Rot. Bonds9

About N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine

N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine (PubChem CID 59503560) has the molecular formula C27H28F2N10S and a molecular weight of 562.65 g/mol. Its IUPAC name is N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine
PubChem CID59503560
Molecular FormulaC27H28F2N10S
Molecular Weight562.65 g/mol
Exact Mass562.22
IUPAC NameN-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cnn(Cc5nc6c(F)c(F)ccc6[nH]5)c4)cnc23)sn1)C(C)C
InChIInChI=1S/C27H28F2N10S/c1-5-37(15(2)3)13-18-8-23(40-36-18)35-26-27-30-10-21(39(27)11-16(4)32-26)17-9-31-38(12-17)14-22-33-20-7-6-19(28)24(29)25(20)34-22/h6-12,15H,5,13-14H2,1-4H3,(H,32,35)(H,33,34)
InChIKeyBRJSFNNACGJIQQ-UHFFFAOYSA-N
XLogP5.53
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.65
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine?
The IUPAC name of N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine (CID 59503560) is N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine is CCN(Cc1cc(Nc2nc(C)cn3c(-c4cnn(Cc5nc6c(F)c(F)ccc6[nH]5)c4)cnc23)sn1)C(C)C.
What is the InChIKey of N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine?
The InChIKey is BRJSFNNACGJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N10S/c1-5-37(15(2)3)13-18-8-23(40-36-18)35-26-27-30-10-21(39(27)11-16(4)32-26)17-9-31-38(12-17)14-22-33-20-7-6-19(28)24(29)25(20)34-22/h6-12,15H,5,13-14H2,1-4H3,(H,32,35)(H,33,34).
What are the key properties of N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine?
N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine has a molecular weight of 562.65 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 59503560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).