(1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol

C22H26N6O2 — CID 130468698

IUPAC(1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol
SMILESCc1nn(C(C)[C@@H](O)Nc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1
InChIInChI=1S/C22H26N6O2/c1-14-21(17-6-10-30-11-7-17)15(2)28(27-14)16(3)22(29)26-20-5-4-18(12-25-20)19-13-23-8-9-24-19/h4-6,8-9,12-13,16,22,29H,7,10-11H2,1-3H3,(H,25,26)/t16?,22-/m1/s1
InChIKeyIWMFXGADZNIXHK-VXNXSFHZSA-N
MW406.49 g/mol
LogP3.15
Rot. Bonds6

About (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol

(1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol (PubChem CID 130468698) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol
PubChem CID130468698
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name(1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol
SMILESCc1nn(C(C)[C@@H](O)Nc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1
InChIInChI=1S/C22H26N6O2/c1-14-21(17-6-10-30-11-7-17)15(2)28(27-14)16(3)22(29)26-20-5-4-18(12-25-20)19-13-23-8-9-24-19/h4-6,8-9,12-13,16,22,29H,7,10-11H2,1-3H3,(H,25,26)/t16?,22-/m1/s1
InChIKeyIWMFXGADZNIXHK-VXNXSFHZSA-N
XLogP3.15
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol (CID 130468698) is (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol is Cc1nn(C(C)[C@@H](O)Nc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.
What is the InChIKey of (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol?
The InChIKey is IWMFXGADZNIXHK-VXNXSFHZSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14-21(17-6-10-30-11-7-17)15(2)28(27-14)16(3)22(29)26-20-5-4-18(12-25-20)19-13-23-8-9-24-19/h4-6,8-9,12-13,16,22,29H,7,10-11H2,1-3H3,(H,25,26)/t16?,22-/m1/s1.
What are the key properties of (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol?
(1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol has a molecular weight of 406.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-[(5-pyrazin-2-yl-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 130468698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).