2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25ClN8O2 — CID 90199782

IUPAC2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1
InChIInChI=1S/C21H25ClN8O2/c1-32-15-11-29(12-15)14-3-6-28(7-4-14)17-2-5-24-9-16(17)26-21(31)18-19(23)27-30-10-13(22)8-25-20(18)30/h2,5,8-10,14-15H,3-4,6-7,11-12H2,1H3,(H2,23,27)(H,26,31)
InChIKeyXNDYVUCQPRAGIJ-UHFFFAOYSA-N
MW456.94 g/mol
LogP1.91
Rot. Bonds5

About 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199782) has the molecular formula C21H25ClN8O2 and a molecular weight of 456.94 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199782
Molecular FormulaC21H25ClN8O2
Molecular Weight456.94 g/mol
Exact Mass456.18
IUPAC Name2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1
InChIInChI=1S/C21H25ClN8O2/c1-32-15-11-29(12-15)14-3-6-28(7-4-14)17-2-5-24-9-16(17)26-21(31)18-19(23)27-30-10-13(22)8-25-20(18)30/h2,5,8-10,14-15H,3-4,6-7,11-12H2,1H3,(H2,23,27)(H,26,31)
InChIKeyXNDYVUCQPRAGIJ-UHFFFAOYSA-N
XLogP1.91
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.94
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199782) is 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1CN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1.
What is the InChIKey of 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XNDYVUCQPRAGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN8O2/c1-32-15-11-29(12-15)14-3-6-28(7-4-14)17-2-5-24-9-16(17)26-21(31)18-19(23)27-30-10-13(22)8-25-20(18)30/h2,5,8-10,14-15H,3-4,6-7,11-12H2,1H3,(H2,23,27)(H,26,31).
What are the key properties of 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.94 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).