(2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol

C23H34N6O — CID 59534284

IUPAC(2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol
SMILESCC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)CCCCCN)nc12
InChIInChI=1S/C23H34N6O/c1-17(2)20-15-26-29-22(25-14-18-9-5-3-6-10-18)13-21(28-23(20)29)27-19(16-30)11-7-4-8-12-24/h3,5-6,9-10,13,15,17,19,25,30H,4,7-8,11-12,14,16,24H2,1-2H3,(H,27,28)/t19-/m1/s1
InChIKeyFUNKDCBNXPEVIP-LJQANCHMSA-N
MW410.57 g/mol
LogP3.76
Rot. Bonds12

About (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol

(2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol (PubChem CID 59534284) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol.

Molecular Properties

Compound Name(2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol
PubChem CID59534284
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name(2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol
SMILESCC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)CCCCCN)nc12
InChIInChI=1S/C23H34N6O/c1-17(2)20-15-26-29-22(25-14-18-9-5-3-6-10-18)13-21(28-23(20)29)27-19(16-30)11-7-4-8-12-24/h3,5-6,9-10,13,15,17,19,25,30H,4,7-8,11-12,14,16,24H2,1-2H3,(H,27,28)/t19-/m1/s1
InChIKeyFUNKDCBNXPEVIP-LJQANCHMSA-N
XLogP3.76
TPSA100.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol?
The IUPAC name of (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol (CID 59534284) is (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol.
What is the SMILES notation for (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol?
The canonical SMILES for (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol is CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)CCCCCN)nc12.
What is the InChIKey of (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol?
The InChIKey is FUNKDCBNXPEVIP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N6O/c1-17(2)20-15-26-29-22(25-14-18-9-5-3-6-10-18)13-21(28-23(20)29)27-19(16-30)11-7-4-8-12-24/h3,5-6,9-10,13,15,17,19,25,30H,4,7-8,11-12,14,16,24H2,1-2H3,(H,27,28)/t19-/m1/s1.
What are the key properties of (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol?
(2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol has a molecular weight of 410.57 g/mol, XLogP of 3.76, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-amino-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol is sourced from PubChem (CID 59534284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).