(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C17H22ClN5O — CID 50985566

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCC4(CCN(C)CC4)C3)nn2c1
InChIInChI=1S/C17H22ClN5O/c1-12-9-19-15-13(18)14(20-23(15)10-12)16(24)22-8-5-17(11-22)3-6-21(2)7-4-17/h9-10H,3-8,11H2,1-2H3
InChIKeyPCIAQWUXXXESBP-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.25
Rot. Bonds1

About (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 50985566) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID50985566
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCC4(CCN(C)CC4)C3)nn2c1
InChIInChI=1S/C17H22ClN5O/c1-12-9-19-15-13(18)14(20-23(15)10-12)16(24)22-8-5-17(11-22)3-6-21(2)7-4-17/h9-10H,3-8,11H2,1-2H3
InChIKeyPCIAQWUXXXESBP-UHFFFAOYSA-N
XLogP2.25
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 50985566) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is Cc1cnc2c(Cl)c(C(=O)N3CCC4(CCN(C)CC4)C3)nn2c1.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is PCIAQWUXXXESBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-12-9-19-15-13(18)14(20-23(15)10-12)16(24)22-8-5-17(11-22)3-6-21(2)7-4-17/h9-10H,3-8,11H2,1-2H3.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 347.85 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 50985566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).