N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine

C24H27N7OS — CID 170725714

IUPACN-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESc1cnn(-c2nc3cc(Nc4ccc(C5CCOCC5)c(CN5CCCC5)n4)ncc3s2)c1
InChIInChI=1S/C24H27N7OS/c1-2-10-30(9-1)16-20-18(17-6-12-32-13-7-17)4-5-22(27-20)29-23-14-19-21(15-25-23)33-24(28-19)31-11-3-8-26-31/h3-5,8,11,14-15,17H,1-2,6-7,9-10,12-13,16H2,(H,25,27,29)
InChIKeyBYVBUFAXAYYHSM-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.51
Rot. Bonds6

About N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine

N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725714) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725714
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC NameN-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESc1cnn(-c2nc3cc(Nc4ccc(C5CCOCC5)c(CN5CCCC5)n4)ncc3s2)c1
InChIInChI=1S/C24H27N7OS/c1-2-10-30(9-1)16-20-18(17-6-12-32-13-7-17)4-5-22(27-20)29-23-14-19-21(15-25-23)33-24(28-19)31-11-3-8-26-31/h3-5,8,11,14-15,17H,1-2,6-7,9-10,12-13,16H2,(H,25,27,29)
InChIKeyBYVBUFAXAYYHSM-UHFFFAOYSA-N
XLogP4.51
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725714) is N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine is c1cnn(-c2nc3cc(Nc4ccc(C5CCOCC5)c(CN5CCCC5)n4)ncc3s2)c1.
What is the InChIKey of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is BYVBUFAXAYYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-2-10-30(9-1)16-20-18(17-6-12-32-13-7-17)4-5-22(27-20)29-23-14-19-21(15-25-23)33-24(28-19)31-11-3-8-26-31/h3-5,8,11,14-15,17H,1-2,6-7,9-10,12-13,16H2,(H,25,27,29).
What are the key properties of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 461.60 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-pyrazol-1-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).