(3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine

C14H15IN6O — CID 150275248

IUPAC(3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(I)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C14H15IN6O/c1-9-8-22-5-4-20(9)13-6-11(15)10-7-17-21(14(10)18-13)12-2-3-16-19-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyGEKRHDKCMCGQAM-SECBINFHSA-N
MW410.22 g/mol
LogP1.97
Rot. Bonds2

About (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine

(3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine (PubChem CID 150275248) has the molecular formula C14H15IN6O and a molecular weight of 410.22 g/mol. Its IUPAC name is (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
PubChem CID150275248
Molecular FormulaC14H15IN6O
Molecular Weight410.22 g/mol
Exact Mass410.04
IUPAC Name(3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(I)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C14H15IN6O/c1-9-8-22-5-4-20(9)13-6-11(15)10-7-17-21(14(10)18-13)12-2-3-16-19-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyGEKRHDKCMCGQAM-SECBINFHSA-N
XLogP1.97
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine (CID 150275248) is (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(I)c2cnn(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
The InChIKey is GEKRHDKCMCGQAM-SECBINFHSA-N. The full InChI is InChI=1S/C14H15IN6O/c1-9-8-22-5-4-20(9)13-6-11(15)10-7-17-21(14(10)18-13)12-2-3-16-19-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,19)/t9-/m1/s1.
What are the key properties of (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
(3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine has a molecular weight of 410.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-iodo-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine is sourced from PubChem (CID 150275248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).