N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine

C25H30N6O2 — CID 125023234

IUPACN-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
SMILESCOc1ccc2c(CN3CCO[C@H](c4cccc(Nc5cc(C)n(C)n5)n4)C3)cn(C)c2c1
InChIInChI=1S/C25H30N6O2/c1-17-12-25(28-30(17)3)27-24-7-5-6-21(26-24)23-16-31(10-11-33-23)15-18-14-29(2)22-13-19(32-4)8-9-20(18)22/h5-9,12-14,23H,10-11,15-16H2,1-4H3,(H,26,27,28)/t23-/m0/s1
InChIKeyYWSCQKWHAUNNQZ-QHCPKHFHSA-N
MW446.56 g/mol
LogP3.94
Rot. Bonds6

About N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine

N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine (PubChem CID 125023234) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
PubChem CID125023234
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
SMILESCOc1ccc2c(CN3CCO[C@H](c4cccc(Nc5cc(C)n(C)n5)n4)C3)cn(C)c2c1
InChIInChI=1S/C25H30N6O2/c1-17-12-25(28-30(17)3)27-24-7-5-6-21(26-24)23-16-31(10-11-33-23)15-18-14-29(2)22-13-19(32-4)8-9-20(18)22/h5-9,12-14,23H,10-11,15-16H2,1-4H3,(H,26,27,28)/t23-/m0/s1
InChIKeyYWSCQKWHAUNNQZ-QHCPKHFHSA-N
XLogP3.94
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124975870
N-(1,5-dimethylpyrazol-3-yl)-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 127249768
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 125005462
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-(quinolin-4-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 124965241
[5-[[(2R)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
CID 124988259
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 124953524
N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 95836118
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251829
6-[(2S)-4-cyclopentylsulfonylmorpholin-2-yl]-N-(1,5-dimethylpyrazol-3-yl)pyridin-2-amine
CID 124970812
N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 124943201
4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250503
1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 124984073

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine (CID 125023234) is N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine is COc1ccc2c(CN3CCO[C@H](c4cccc(Nc5cc(C)n(C)n5)n4)C3)cn(C)c2c1.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?
The InChIKey is YWSCQKWHAUNNQZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-12-25(28-30(17)3)27-24-7-5-6-21(26-24)23-16-31(10-11-33-23)15-18-14-29(2)22-13-19(32-4)8-9-20(18)22/h5-9,12-14,23H,10-11,15-16H2,1-4H3,(H,26,27,28)/t23-/m0/s1.
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine?
N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine has a molecular weight of 446.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine is sourced from PubChem (CID 125023234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).