N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C28H31FN10S — CID 78428033

IUPACN-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(Cc4nnnn4C4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H31FN10S/c1-3-23-27(35(2)28-31-24(18-40-28)19-4-6-20(29)7-5-19)38-16-22(10-11-25(38)30-23)37-14-12-36(13-15-37)17-26-32-33-34-39(26)21-8-9-21/h4-7,10-11,16,18,21H,3,8-9,12-15,17H2,1-2H3
InChIKeyYPXPRMXMSDTVCU-UHFFFAOYSA-N
MW558.69 g/mol
LogP4.57
Rot. Bonds8

About N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78428033) has the molecular formula C28H31FN10S and a molecular weight of 558.69 g/mol. Its IUPAC name is N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID78428033
Molecular FormulaC28H31FN10S
Molecular Weight558.69 g/mol
Exact Mass558.24
IUPAC NameN-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(Cc4nnnn4C4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H31FN10S/c1-3-23-27(35(2)28-31-24(18-40-28)19-4-6-20(29)7-5-19)38-16-22(10-11-25(38)30-23)37-14-12-36(13-15-37)17-26-32-33-34-39(26)21-8-9-21/h4-7,10-11,16,18,21H,3,8-9,12-15,17H2,1-2H3
InChIKeyYPXPRMXMSDTVCU-UHFFFAOYSA-N
XLogP4.57
TPSA83.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.69
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78428033) is N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(Cc4nnnn4C4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is YPXPRMXMSDTVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN10S/c1-3-23-27(35(2)28-31-24(18-40-28)19-4-6-20(29)7-5-19)38-16-22(10-11-25(38)30-23)37-14-12-36(13-15-37)17-26-32-33-34-39(26)21-8-9-21/h4-7,10-11,16,18,21H,3,8-9,12-15,17H2,1-2H3.
What are the key properties of N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 558.69 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78428033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).