(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

C27H31N5O2 — CID 89483206

IUPAC(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1cccc2cccnc12)C(=O)[C@H]1CN(Cc2cccc3ccnn23)CCO1
InChIInChI=1S/C27H31N5O2/c1-20(2)16-31(17-22-7-3-6-21-8-5-12-28-26(21)22)27(33)25-19-30(14-15-34-25)18-24-10-4-9-23-11-13-29-32(23)24/h3-13,20,25H,14-19H2,1-2H3/t25-/m1/s1
InChIKeyLCKXFUCAECBRDX-RUZDIDTESA-N
MW457.58 g/mol
LogP3.77
Rot. Bonds7

About (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (PubChem CID 89483206) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
PubChem CID89483206
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1cccc2cccnc12)C(=O)[C@H]1CN(Cc2cccc3ccnn23)CCO1
InChIInChI=1S/C27H31N5O2/c1-20(2)16-31(17-22-7-3-6-21-8-5-12-28-26(21)22)27(33)25-19-30(14-15-34-25)18-24-10-4-9-23-11-13-29-32(23)24/h3-13,20,25H,14-19H2,1-2H3/t25-/m1/s1
InChIKeyLCKXFUCAECBRDX-RUZDIDTESA-N
XLogP3.77
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (CID 89483206) is (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is CC(C)CN(Cc1cccc2cccnc12)C(=O)[C@H]1CN(Cc2cccc3ccnn23)CCO1.
What is the InChIKey of (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The InChIKey is LCKXFUCAECBRDX-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31N5O2/c1-20(2)16-31(17-22-7-3-6-21-8-5-12-28-26(21)22)27(33)25-19-30(14-15-34-25)18-24-10-4-9-23-11-13-29-32(23)24/h3-13,20,25H,14-19H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 89483206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).