1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C19H27N5O2 — CID 92566414

IUPAC1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCn1nc(C2CCN(C(=O)CCN3CCOCC3)CC2)c2cccnc21
InChIInChI=1S/C19H27N5O2/c1-22-19-16(3-2-7-20-19)18(21-22)15-4-9-24(10-5-15)17(25)6-8-23-11-13-26-14-12-23/h2-3,7,15H,4-6,8-14H2,1H3
InChIKeyKWMMSDWSNHTSIO-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.40
Rot. Bonds4

About 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 92566414) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID92566414
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCn1nc(C2CCN(C(=O)CCN3CCOCC3)CC2)c2cccnc21
InChIInChI=1S/C19H27N5O2/c1-22-19-16(3-2-7-20-19)18(21-22)15-4-9-24(10-5-15)17(25)6-8-23-11-13-26-14-12-23/h2-3,7,15H,4-6,8-14H2,1H3
InChIKeyKWMMSDWSNHTSIO-UHFFFAOYSA-N
XLogP1.40
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 92566414) is 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cn1nc(C2CCN(C(=O)CCN3CCOCC3)CC2)c2cccnc21.
What is the InChIKey of 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is KWMMSDWSNHTSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22-19-16(3-2-7-20-19)18(21-22)15-4-9-24(10-5-15)17(25)6-8-23-11-13-26-14-12-23/h2-3,7,15H,4-6,8-14H2,1H3.
What are the key properties of 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 357.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 92566414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).