N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal

C27H32N6O3 — CID 143929817

IUPACN-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal
SMILESCC(C)C=O.CNc1nc2cccc(-c3ccc(OCc4ccc(N5CCOCC5)nc4)cc3)n2n1
InChIInChI=1S/C23H24N6O2.C4H8O/c1-24-23-26-22-4-2-3-20(29(22)27-23)18-6-8-19(9-7-18)31-16-17-5-10-21(25-15-17)28-11-13-30-14-12-28;1-4(2)3-5/h2-10,15H,11-14,16H2,1H3,(H,24,27);3-4H,1-2H3
InChIKeyXVMKCWDPWIMJNS-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.09
Rot. Bonds7

About N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal

N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal (PubChem CID 143929817) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal.

Molecular Properties

Compound NameN-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal
PubChem CID143929817
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC NameN-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal
SMILESCC(C)C=O.CNc1nc2cccc(-c3ccc(OCc4ccc(N5CCOCC5)nc4)cc3)n2n1
InChIInChI=1S/C23H24N6O2.C4H8O/c1-24-23-26-22-4-2-3-20(29(22)27-23)18-6-8-19(9-7-18)31-16-17-5-10-21(25-15-17)28-11-13-30-14-12-28;1-4(2)3-5/h2-10,15H,11-14,16H2,1H3,(H,24,27);3-4H,1-2H3
InChIKeyXVMKCWDPWIMJNS-UHFFFAOYSA-N
XLogP4.09
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal?
The IUPAC name of N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal (CID 143929817) is N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal.
What is the SMILES notation for N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal?
The canonical SMILES for N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal is CC(C)C=O.CNc1nc2cccc(-c3ccc(OCc4ccc(N5CCOCC5)nc4)cc3)n2n1.
What is the InChIKey of N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal?
The InChIKey is XVMKCWDPWIMJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.C4H8O/c1-24-23-26-22-4-2-3-20(29(22)27-23)18-6-8-19(9-7-18)31-16-17-5-10-21(25-15-17)28-11-13-30-14-12-28;1-4(2)3-5/h2-10,15H,11-14,16H2,1H3,(H,24,27);3-4H,1-2H3.
What are the key properties of N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal?
N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal has a molecular weight of 488.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methylpropanal is sourced from PubChem (CID 143929817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).