5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide

C24H27N7O2 — CID 175850132

IUPAC5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)cnc1OC(C)C
InChIInChI=1S/C24H27N7O2/c1-14(2)33-24-15(3)9-18(11-26-24)23(32)29-19-8-6-7-17(10-19)16(4)28-21-13-25-20-12-27-31(5)22(20)30-21/h6-14,16H,1-5H3,(H,28,30)(H,29,32)/t16-/m0/s1
InChIKeyYRTQPUVLDKNFHG-INIZCTEOSA-N
MW445.53 g/mol
LogP4.28
Rot. Bonds7

About 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide

5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 175850132) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID175850132
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)cnc1OC(C)C
InChIInChI=1S/C24H27N7O2/c1-14(2)33-24-15(3)9-18(11-26-24)23(32)29-19-8-6-7-17(10-19)16(4)28-21-13-25-20-12-27-31(5)22(20)30-21/h6-14,16H,1-5H3,(H,28,30)(H,29,32)/t16-/m0/s1
InChIKeyYRTQPUVLDKNFHG-INIZCTEOSA-N
XLogP4.28
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 175850132) is 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide is Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)cnc1OC(C)C.
What is the InChIKey of 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is YRTQPUVLDKNFHG-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-14(2)33-24-15(3)9-18(11-26-24)23(32)29-19-8-6-7-17(10-19)16(4)28-21-13-25-20-12-27-31(5)22(20)30-21/h6-14,16H,1-5H3,(H,28,30)(H,29,32)/t16-/m0/s1.
What are the key properties of 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 175850132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).