(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone

C19H28N6O2 — CID 110143428

IUPAC(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CCCC(O)(CN4CCCC4)CC3)c(N)n2n1
InChIInChI=1S/C19H28N6O2/c1-14-11-16-21-12-15(17(20)25(16)22-14)18(26)24-9-4-5-19(27,6-10-24)13-23-7-2-3-8-23/h11-12,27H,2-10,13,20H2,1H3
InChIKeyRFVXJZLBXPDNEO-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.07
Rot. Bonds3

About (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone

(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone (PubChem CID 110143428) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
PubChem CID110143428
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CCCC(O)(CN4CCCC4)CC3)c(N)n2n1
InChIInChI=1S/C19H28N6O2/c1-14-11-16-21-12-15(17(20)25(16)22-14)18(26)24-9-4-5-19(27,6-10-24)13-23-7-2-3-8-23/h11-12,27H,2-10,13,20H2,1H3
InChIKeyRFVXJZLBXPDNEO-UHFFFAOYSA-N
XLogP1.07
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone (CID 110143428) is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone is Cc1cc2ncc(C(=O)N3CCCC(O)(CN4CCCC4)CC3)c(N)n2n1.
What is the InChIKey of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The InChIKey is RFVXJZLBXPDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14-11-16-21-12-15(17(20)25(16)22-14)18(26)24-9-4-5-19(27,6-10-24)13-23-7-2-3-8-23/h11-12,27H,2-10,13,20H2,1H3.
What are the key properties of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 110143428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).