2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol

C19H31N5O — CID 56913693

IUPAC2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCc1cc2nc(C(C)C)cc(N(C)CC3CCCN(CCO)C3)n2n1
InChIInChI=1S/C19H31N5O/c1-14(2)17-11-19(24-18(20-17)10-15(3)21-24)22(4)12-16-6-5-7-23(13-16)8-9-25/h10-11,14,16,25H,5-9,12-13H2,1-4H3
InChIKeyIIROFQKZSNWUKM-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.30
Rot. Bonds6

About 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol

2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 56913693) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID56913693
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCc1cc2nc(C(C)C)cc(N(C)CC3CCCN(CCO)C3)n2n1
InChIInChI=1S/C19H31N5O/c1-14(2)17-11-19(24-18(20-17)10-15(3)21-24)22(4)12-16-6-5-7-23(13-16)8-9-25/h10-11,14,16,25H,5-9,12-13H2,1-4H3
InChIKeyIIROFQKZSNWUKM-UHFFFAOYSA-N
XLogP2.30
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol (CID 56913693) is 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol is Cc1cc2nc(C(C)C)cc(N(C)CC3CCCN(CCO)C3)n2n1.
What is the InChIKey of 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is IIROFQKZSNWUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14(2)17-11-19(24-18(20-17)10-15(3)21-24)22(4)12-16-6-5-7-23(13-16)8-9-25/h10-11,14,16,25H,5-9,12-13H2,1-4H3.
What are the key properties of 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol?
2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 345.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56913693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).