2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol

C22H29N7O2 — CID 53374764

IUPAC2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NCC(C)(C)O)n3n1)CCCO2
InChIInChI=1S/C22H29N7O2/c1-14-20(25-15-7-6-10-31-21(15)24-14)16-11-19-26-18(28-8-4-5-9-28)12-17(29(19)27-16)23-13-22(2,3)30/h11-12,23,30H,4-10,13H2,1-3H3
InChIKeyFRKZNVHJADFQAX-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol

2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (PubChem CID 53374764) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
PubChem CID53374764
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NCC(C)(C)O)n3n1)CCCO2
InChIInChI=1S/C22H29N7O2/c1-14-20(25-15-7-6-10-31-21(15)24-14)16-11-19-26-18(28-8-4-5-9-28)12-17(29(19)27-16)23-13-22(2,3)30/h11-12,23,30H,4-10,13H2,1-3H3
InChIKeyFRKZNVHJADFQAX-UHFFFAOYSA-N
XLogP2.60
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (CID 53374764) is 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NCC(C)(C)O)n3n1)CCCO2.
What is the InChIKey of 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The InChIKey is FRKZNVHJADFQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-14-20(25-15-7-6-10-31-21(15)24-14)16-11-19-26-18(28-8-4-5-9-28)12-17(29(19)27-16)23-13-22(2,3)30/h11-12,23,30H,4-10,13H2,1-3H3.
What are the key properties of 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol has a molecular weight of 423.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is sourced from PubChem (CID 53374764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).