5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C24H27N7O3 — CID 168773388

IUPAC5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3c[nH]c4nc(NC5CCC6(CC5)COC6)nc(OC)c34)cc12
InChIInChI=1S/C24H27N7O3/c1-25-21(32)17-11-27-31-8-5-14(9-18(17)31)16-10-26-20-19(16)22(33-2)30-23(29-20)28-15-3-6-24(7-4-15)12-34-13-24/h5,8-11,15H,3-4,6-7,12-13H2,1-2H3,(H,25,32)(H2,26,28,29,30)
InChIKeyJHADGJWQHYKYNS-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.01
Rot. Bonds5

About 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168773388) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID168773388
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2ccc(-c3c[nH]c4nc(NC5CCC6(CC5)COC6)nc(OC)c34)cc12
InChIInChI=1S/C24H27N7O3/c1-25-21(32)17-11-27-31-8-5-14(9-18(17)31)16-10-26-20-19(16)22(33-2)30-23(29-20)28-15-3-6-24(7-4-15)12-34-13-24/h5,8-11,15H,3-4,6-7,12-13H2,1-2H3,(H,25,32)(H2,26,28,29,30)
InChIKeyJHADGJWQHYKYNS-UHFFFAOYSA-N
XLogP3.01
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 168773388) is 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1cnn2ccc(-c3c[nH]c4nc(NC5CCC6(CC5)COC6)nc(OC)c34)cc12.
What is the InChIKey of 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JHADGJWQHYKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-25-21(32)17-11-27-31-8-5-14(9-18(17)31)16-10-26-20-19(16)22(33-2)30-23(29-20)28-15-3-6-24(7-4-15)12-34-13-24/h5,8-11,15H,3-4,6-7,12-13H2,1-2H3,(H,25,32)(H2,26,28,29,30).
What are the key properties of 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).