N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

C24H30N8S — CID 58824257

IUPACN-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESCn1ccc(-c2cnn3c(Nc4cc(C5CCNCC5)ns4)cc(C4CCCNC4)nc23)c1
InChIInChI=1S/C24H30N8S/c1-31-10-6-18(15-31)19-14-27-32-22(11-20(28-24(19)32)17-3-2-7-26-13-17)29-23-12-21(30-33-23)16-4-8-25-9-5-16/h6,10-12,14-17,25-26,29H,2-5,7-9,13H2,1H3
InChIKeySREBWHDBFNVKPG-UHFFFAOYSA-N
MW462.63 g/mol
LogP3.87
Rot. Bonds5

About N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (PubChem CID 58824257) has the molecular formula C24H30N8S and a molecular weight of 462.63 g/mol. Its IUPAC name is N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
PubChem CID58824257
Molecular FormulaC24H30N8S
Molecular Weight462.63 g/mol
Exact Mass462.23
IUPAC NameN-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESCn1ccc(-c2cnn3c(Nc4cc(C5CCNCC5)ns4)cc(C4CCCNC4)nc23)c1
InChIInChI=1S/C24H30N8S/c1-31-10-6-18(15-31)19-14-27-32-22(11-20(28-24(19)32)17-3-2-7-26-13-17)29-23-12-21(30-33-23)16-4-8-25-9-5-16/h6,10-12,14-17,25-26,29H,2-5,7-9,13H2,1H3
InChIKeySREBWHDBFNVKPG-UHFFFAOYSA-N
XLogP3.87
TPSA84.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.63
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (CID 58824257) is N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is Cn1ccc(-c2cnn3c(Nc4cc(C5CCNCC5)ns4)cc(C4CCCNC4)nc23)c1.
What is the InChIKey of N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The InChIKey is SREBWHDBFNVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8S/c1-31-10-6-18(15-31)19-14-27-32-22(11-20(28-24(19)32)17-3-2-7-26-13-17)29-23-12-21(30-33-23)16-4-8-25-9-5-16/h6,10-12,14-17,25-26,29H,2-5,7-9,13H2,1H3.
What are the key properties of N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine has a molecular weight of 462.63 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 58824257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).