N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine

C20H20N6OS — CID 56952691

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C20H20N6OS/c1-13-22-10-15(28-13)11-23-19-9-20(25-18-5-7-24-26(18)19)27-12-14-8-16(14)17-4-2-3-6-21-17/h2-7,9-10,14,16,23H,8,11-12H2,1H3/t14-,16+/m1/s1
InChIKeySRAMCDKNEQGWBH-ZBFHGGJFSA-N
MW392.49 g/mol
LogP3.68
Rot. Bonds7

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56952691) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56952691
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C20H20N6OS/c1-13-22-10-15(28-13)11-23-19-9-20(25-18-5-7-24-26(18)19)27-12-14-8-16(14)17-4-2-3-6-21-17/h2-7,9-10,14,16,23H,8,11-12H2,1H3/t14-,16+/m1/s1
InChIKeySRAMCDKNEQGWBH-ZBFHGGJFSA-N
XLogP3.68
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56952691) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SRAMCDKNEQGWBH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-13-22-10-15(28-13)11-23-19-9-20(25-18-5-7-24-26(18)19)27-12-14-8-16(14)17-4-2-3-6-21-17/h2-7,9-10,14,16,23H,8,11-12H2,1H3/t14-,16+/m1/s1.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 392.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56952691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).